SCHEMBL803429

SCHEMBL803429

CC(C)(C)c1ccnc(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
RECQL P46063 1/20 0.42
LMNA P02545 3/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
TYR P14679 1/20 0.41
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
KIF11 P52732 2/20 0.38
KDM4E B2RXH2 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30947602 0.83 NOS3 (0.39) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL13971495 0.83 NOS3 (0.39) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL18745357 0.81 MAPK1 (0.40) ALDH1A1TDP1KMT2AMAPTMEN1
SCHEMBL21972604 0.79 ESR1 (0.38) ALDH1A1KMT2AMEN1GAAADRB2
SCHEMBL26428605 0.77 KIF11 (0.38) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL30947607 0.77 NOS3 (0.57) ALDH1A1GAAKIF11KDM4ENOS3
SCHEMBL1660106 0.77 NOS3 (0.57) ALDH1A1GAAKIF11KDM4ENOS3
SCHEMBL8764962 0.77 TSHR (0.38) RECQLNOS3NOS2
SCHEMBL347025 0.76 CCR1 (0.48) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL29453375 0.76 CCR1 (0.48) ALDH1A1HPGDALOX15HSD17B10TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 106 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
CN-110294779-B Organometallic compound, organic light emitting device including the same, and electronic device 三星显示有限公司 2024-04-02 CN disclosed
US-20230374022-A1 INHIBITORS OF PARG 858 THERAPEUTICS, INC. 2023-11-23 US disclosed
EP-3544075-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO LTD (KR) 2023-10-11 EP disclosed
EP-3544075-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO LTD (KR) 2023-10-11 EP disclosed
US-20230060808-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2023-03-02 US disclosed
US-20230041621-A1 SSTR5 ANTAGONISTS KALLYOPE, INC. 2023-02-09 US disclosed
CN-115594721-A Organometallic compound, and light-emitting element and electronic device each including the same 三星显示有限公司(KR) 2023-01-13 CN disclosed
US-11498926-B2 Tricyclic heterocycles as BET protein inhibitors INCYTE CORPORATION (US) 2022-11-15 US disclosed
US-11171296-B2 Organometallic compound, organic light-emitting device including the same, and organic light-emitting apparatus including the organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2021-11-09 US disclosed
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 US disclosed
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. (US) 2010-06-03 US disclosed
US-20100056509-A1 HETEROARYL SULFONAMIDES AND CCR2 CHEMOCENTRYX, INC. 2010-03-04 US disclosed
US-20100056509-A1 HETEROARYL SULFONAMIDES AND CCR2 CHEMOCENTRYX, INC. 2010-03-04 US disclosed
US-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-18 US disclosed
US-7622583-B2 Heteroaryl sulfonamides and CCR2 CHEMOCENTRYX, INC. (US) 2009-11-24 US disclosed
US-7622583-B2 Heteroaryl sulfonamides and CCR2 CHEMOCENTRYX, INC. (US) 2009-11-24 US disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 US disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230374022-A1 INHIBITORS OF PARG PARG, PLG, SERPINB1 ALDH1A1 4379/4885HPGD 45/4885ALOX15 1188/4885
US-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES CETP, APOB, CES1 ALDH1A1 1722/4885HPGD 2954/4885ALOX15 1794/4885
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CCR2, CCR1, CCL2 ALDH1A1 1867/4885HPGD 4010/4885ALOX15 2576/4885
US-20100056509-A1 HETEROARYL SULFONAMIDES AND CCR2 CCR2, CXCR2, CCR1 ALDH1A1 2327/4885HPGD 1971/4885ALOX15 1002/4885
US-12043613-B2 Inhibitors of SARM1 SARM1, SMN1; SMN2, SARNP ALDH1A1 4157/4885HPGD 4393/4885ALOX15 4085/4885
US-11171296-B2 Organometallic compound, organic light-emitting device including the same, and organic light-emitting apparatus including the organic light-emitting device OCIAD1, ORC3, ORMDL3 ALDH1A1 24/4885HPGD 3141/4885ALOX15 594/4885
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 ALDH1A1 1572/4885HPGD 2069/4885ALOX15 1297/4885
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 ALDH1A1 804/4885HPGD 301/4885ALOX15 2264/4885
US-20230041621-A1 SSTR5 ANTAGONISTS SSTR5, GLP1R, GPR119 ALDH1A1 2825/4885HPGD 2011/4885ALOX15 958/4885
US-11498926-B2 Tricyclic heterocycles as BET protein inhibitors BRD1, BRD3, BRD2 ALDH1A1 4459/4885HPGD 1100/4885ALOX15 4113/4885
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds PDE12, PDE7A, PDE10A ALDH1A1 699/4885HPGD 142/4885ALOX15 2220/4885
US-20230060808-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND ORGANOMETALLIC COMPOUND LAGE3, LEF1, ELP1 ALDH1A1 14/4885HPGD 2365/4885ALOX15 1226/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.