SCHEMBL4169962

SCHEMBL4169962

COc1cc(I)ccc1N

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.61
▸ CYP3A4 P08684 3/20 0.61
▸ TDP1 Q9NUW8 3/20 0.61
▸ TSHR P16473 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ HTT P42858 1/20 0.50
▸ APP P05067 5/20 0.48
▸ ADRA2B P18089 1/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ POLB P06746 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ GAA P10253 2/20 0.43
▸ IDO1 P14902 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ EP300 Q09472 1/20 0.41
▸ KAT8 Q9H7Z6 1/20 0.41

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
SCHEMBL31722598 0.82 ALDH1A1 (0.59) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL111536 0.82 ALDH1A1 (0.59) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL31277237 0.78 CA2 (0.54) ALDH1A1CYP3A4TSHRAPPPOLB
SCHEMBL470124 0.78 CA2 (0.54) ALDH1A1CYP3A4TSHRAPPPOLB
SCHEMBL31441812 0.78 ALDH1A1 (0.43) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL29375147 0.76 ALDH1A1 (0.67) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL197234 0.76 APP (0.38) CYP3A4TSHRAPPIDO1MAPT
SCHEMBL29399235 0.76 ALDH1A1 (1.00) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL48945 0.76 ALDH1A1 (1.00) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL64099 0.76 ALDH1A1 (0.67) ALDH1A1CYP3A4TDP1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431230-A Compounds for inhibiting alpha 4 beta 7 integrin 吉利德科学公司 2025-02-14 — — CN disclosed
CN-114222730-B Compounds for inhibiting alpha 4 beta 7 integrin 吉利德科学公司 2024-09-10 — — CN disclosed
US-11603350-B2 Compound, composition, cured object, optically anisotropic body, and reflective film FUJIFILM CORPORATION (JP) 2023-03-14 — — US disclosed
US-11578069-B2 Compounds for inhibition of α4 β7 integrin GILEAD SCIENCES, INC. (US) 2023-02-14 — — US disclosed
US-11578069-B2 Compounds for inhibition of α4 β7 integrin GILEAD SCIENCES, INC. (US) 2023-02-14 — — US disclosed
EP-4013499-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-06-22 — — EP disclosed
CN-114222730-A Compounds for inhibiting alpha 4 beta 7 integrins 吉利德科学公司 2022-03-22 — — CN disclosed
CN-108025189-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2021-07-02 — — CN disclosed
US-20210053967-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. 2021-02-25 — — US disclosed
US-20210053967-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. 2021-02-25 — — US disclosed
WO-2014058747-A1 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-04-17 — — WO disclosed
EP-1797050-B1 HIV INHIBITING 1.2.4-TRIAZIN-6-ONE DERIVATES JANSSEN PHARMACEUTICA NV (BE) 2013-10-23 — — EP disclosed
US-20120142672-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 — — US disclosed
CN-102482276-A Heterocyclic compounds and their use TAKEDA PHARMACEUTICAL 2012-05-30 — — CN disclosed
EP-2455380-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-05-23 — — EP disclosed
WO-2012061299-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-05-10 — — WO disclosed
US-20110160196-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2011-06-30 — — US disclosed
CN-102036972-A Treatment of duchenne muscular dystrophy SUMMIT CORP PLC 2011-04-27 — — CN disclosed
US-7923554-B2 HIV inhibiting 1,2,4-triazin-6-one derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2011-04-12 — — US disclosed
US-20090012092-A1 Hiv Inhibiting 1,2,4-Triazin-6-One Derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-08 — — 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 (6 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-20090012092-A1 Hiv Inhibiting 1,2,4-Triazin-6-One Derivatives NCOR1, NR1H3, NCOA3 ALDH1A1 3489/4885CYP3A4 143/4885TDP1 4113/4885
US-20110160196-A1 FACTOR XA INHIBITORS TFPI, F12, F11 ALDH1A1 1468/4885CYP3A4 277/4885TDP1 1486/4885
US-11578069-B2 Compounds for inhibition of α4 β7 integrin ITGB7, ITGB4, ITGA4 ALDH1A1 830/4885CYP3A4 1987/4885TDP1 4649/4885
US-20120142672-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BACE1, APP, BACE2 ALDH1A1 873/4885CYP3A4 908/4885TDP1 1955/4885
US-11603350-B2 Compound, composition, cured object, optically anisotropic body, and reflective film FLNA, CFL1, MKI67 ALDH1A1 886/4885CYP3A4 4346/4885TDP1 3813/4885
US-20210053967-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 ALDH1A1 796/4885CYP3A4 2057/4885TDP1 4478/4885

“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.

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