SCHEMBL677655

SCHEMBL677655

CC(C)(C)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
ALDH1A1 P00352 2/20 0.55
CASP7 P55210 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
MAPT P10636 3/20 0.53
GAA P10253 2/20 0.53
PKM P14618 1/20 0.53
PDK1 Q15118 1/20 0.53
PDK2 Q15119 1/20 0.53
PDK3 Q15120 1/20 0.53
PDK4 Q16654 1/20 0.53
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.48
KAT2B Q92831 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL10359712 0.82 MAPK1 (0.53) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL29154936 0.82 PDK1 (0.44) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL24187914 0.82 PDK1 (0.55) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL10868680 0.81 MEN1 (0.49) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL11657337 0.81 PDK1 (0.54) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL9806386 0.81 PDK1 (0.54) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL29631845 0.81 MAPK1 (0.47) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL10696434 0.81 KMT2A (0.53) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL14247107 0.81 KMT2A (0.49) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL6778696 0.80 ALDH1A1 (0.45) MAPK1TDP1ALDH1A1CASP7L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250051320-A1 CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2025-02-13 US disclosed
US-11932635-B2 CRBN ligands and uses thereof KYMERA THERAPEUTICS, INC. (US) 2024-03-19 US disclosed
US-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. 2023-07-27 US disclosed
US-20230234950-A1 CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-27 US disclosed
US-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. 2023-07-27 US disclosed
US-20230234950-A1 CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-27 US disclosed
US-11512080-B2 CRBN ligands and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-11-29 US disclosed
CN-111704579-B Benzimidazole compound synthesis method based on iron-catalyzed redox coupling reaction 中国农业大学 2021-12-14 CN disclosed
EP-3737675-A1 CRBN LIGANDS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2020-11-18 EP disclosed
US-20200347045-A1 CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2020-11-05 US disclosed
US-7517899-B2 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2009-04-14 US disclosed
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2009-04-09 US disclosed
EP-1732887-B1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH CORP (US) 2008-01-09 EP disclosed
US-20070099920-A1 Benzimidazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-05-03 US disclosed
EP-1732887-A1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) Wyeth (US) 2006-12-20 EP disclosed
WO-2005097744-A1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2005-10-20 WO disclosed
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2005-10-06 US disclosed
EP-0368652-B1 Imidazoquinoxalines and their preparation NOVO NORDISK AS (DK) 1995-03-01 EP disclosed
US-4999353-A Chemical process for the preparation of imidazo-quinoxalines and intermediates for use in the process NOVO NORDISK A/S (DK) 1991-03-12 US disclosed
EP-0368652-A1 Imidazoquinoxalines and their preparation NOVO NORDISK A/S (DK) 1990-05-16 EP 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 (9 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-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF FEN1, ERCC4, DCLRE1B MAPK1 3534/4885TDP1 28/4885ALDH1A1 1451/4885
US-20230234950-A1 CRBN LIGANDS AND USES THEREOF CRBN, CRKL, ERBB3 MAPK1 2696/4885TDP1 3254/4885ALDH1A1 4145/4885
US-11932635-B2 CRBN ligands and uses thereof CRBN, CRKL, ERBB3 MAPK1 2696/4885TDP1 3254/4885ALDH1A1 4145/4885
US-20200347045-A1 CRBN LIGANDS AND USES THEREOF CRBN, CRKL, ERBB3 MAPK1 2696/4885TDP1 3254/4885ALDH1A1 4145/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT MAPK1 1136/4885TDP1 322/4885ALDH1A1 284/4885
US-20250051320-A1 CRBN LIGANDS AND USES THEREOF CRBN, CRKL, ERBB3 MAPK1 2696/4885TDP1 3254/4885ALDH1A1 4145/4885
US-20070099920-A1 Benzimidazoles useful as inhibitors of protein kinases PDK1, AURKC, PIM3 MAPK1 818/4885TDP1 596/4885ALDH1A1 1572/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT MAPK1 1136/4885TDP1 322/4885ALDH1A1 284/4885
US-11512080-B2 CRBN ligands and uses thereof CRBN, CRKL, ERBB3 MAPK1 2696/4885TDP1 3254/4885ALDH1A1 4145/4885

“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.