SCHEMBL9273442

SCHEMBL9273442

CCc1c(C)n(C)c(=O)n(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 1/20 0.41
▸ AOC3 Q16853 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ LGMN Q99538 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL3788743 0.78 ADORA2B (0.38) ALDH1A1KDM4EGLAKMT2AMAPT
SCHEMBL12775695 0.77 ALDH1A1 (0.33) ALDH1A1LGMNLMNA
SCHEMBL3521446 0.77 GAA (0.41) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL14886983 0.76 ALDH1A1 (0.45) AOC3ALDH1A1KDM4EGLAKMT2A
SCHEMBL22016882 0.73 KDM5A (0.35) KDM5AALDH1A1KDM4E
SCHEMBL12926006 0.72 KDM5A (0.34) KDM5A
SCHEMBL13024710 0.71 ATAD2 (0.39) ALDH1A1KDM4EHPGDLGMNLMNA
SCHEMBL13024384 0.70 ADORA2A (0.41) ALDH1A1KDM4EHPGDLGMNLMNA
SCHEMBL19530909 0.68 ALDH1A1 (0.47) ALDH1A1KDM4EGLAKMT2AMEN1
SCHEMBL13492907 0.68 ADORA2A (0.36) AOC3ALDH1A1KDM4EGLAKMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 — — US disclosed
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 — — US disclosed
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 — — US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 — — US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 — — US disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 — — US disclosed
US-20200155538-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-21 — — US disclosed
US-20180099005-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY HOFFMANN-LA ROCHE, INC. 2018-04-12 — — US disclosed
US-20130079383-A1 Lipid Compounds Targeting VLA-4 ARROWHEAD RESEARCH CORPORATION (US) 2013-03-28 — — US disclosed
EP-0647231-A1 N-SUBSTITUTED 3-AZABICYCLO 3.2.0]HEPTANE DERIVATES USEFUL AS NEUROLEPTIC AGENTS, ETC. BASF AG (DE) 1995-04-12 — — EP disclosed
WO-1994000458-A1 N-SUBSTITUTED 3-AZABICYCLO[3.2.0]HEPTANE DERIVATES USEFUL AS NEUROLEPTIC AGENTS, ETC. BASF AKTIENGESELLSCHAFT (DE) 1994-01-06 — — WO 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-20180099005-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY ITGB1, ITGA4, ITGB4 KDM5A 2224/4885AOC3 3986/4885ALDH1A1 2009/4885
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 KDM5A 3004/4885AOC3 4477/4885ALDH1A1 823/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 KDM5A 2534/4885AOC3 4401/4885ALDH1A1 791/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 KDM5A 2386/4885AOC3 3603/4885ALDH1A1 476/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 KDM5A 2386/4885AOC3 3603/4885ALDH1A1 476/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B KDM5A 2656/4885AOC3 4258/4885ALDH1A1 838/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 KDM5A 3004/4885AOC3 4477/4885ALDH1A1 823/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 KDM5A 2386/4885AOC3 3603/4885ALDH1A1 476/4885
US-20130079383-A1 Lipid Compounds Targeting VLA-4 LPAR4, ASGR1, VCAM1 KDM5A 4066/4885AOC3 4634/4885ALDH1A1 997/4885

“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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