Sugi Predict

Sugi Predict / Compounds / SCHEMBL3022644

SCHEMBL3022644

SCHEMBL3022644

Clc1cc[c]c(-c2cccc(Cl)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ NOTUM Q6P988 3/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ IDO1 P14902 4/20 0.38
▸ MAOB P27338 2/20 0.38
▸ SOS1 Q07889 1/20 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
SCHEMBL1116711 0.85 CYP1A2 (0.41) NPC1TP53TSHRNFKB1RAB9A
SCHEMBL7507597 0.85 GABRP (0.42) ALOX5TAAR1NOTUMESR2NPC1
SCHEMBL2012652 0.85 GABRP (0.43) TAAR1CHRNB4CHRNA3NOTUMESR2
SCHEMBL8506859 0.85 GABRP (0.42) CHRNB4CHRNA3NPC1TP53TSHR
SCHEMBL10658674 0.85 ESR2 (0.42) ALOX5TAAR1ESR2IDO1SOS1
SCHEMBL7459587 0.85 TAAR1 (0.44) ALOX5TAAR1ESR2NPC1TP53
SCHEMBL4289202 0.85 TSHR (0.50) ALOX5CHRNB4CHRNA3ESR2TSHR
SCHEMBL11564539 0.83 TSHR (0.36) TSHR
SCHEMBL10963482 0.82 CFTR (0.41) ALOX5TAAR1NOTUMESR2NPC1
SCHEMBL5106003 0.82 MAPT (0.41) NOTUMNPC1TSHRRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204209-A1 CCR2 Receptor Antagonists and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 — — US claimed
EP-2155689-A2 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2010-02-24 — — EP claimed
WO-2008145681-A2 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-04 — — WO claimed
US-5436257-A Low toxicity SANKYO COMPANY, LIMITED (JP) 1995-07-25 — — US claimed
CN-112912080-B Method for preparing MDM2 inhibitor 美国安进公司 2024-05-10 — — CN disclosed
CN-116472063-A Targeted conjugates comprising modified siRNAs 阿布特斯生物制药公司 2023-07-21 — — CN disclosed
CN-112933236-A Combination therapy comprising an MDM2 inhibitor and one or more additional pharmaceutically active agents for the treatment of cancer 美国安进公司 2021-06-11 — — CN disclosed
CN-112912080-A Methods for making MDM2 inhibitors 美国安进公司 2021-06-04 — — CN disclosed
CN-105153014-B Piperidinone derivatives as MDM2 inhibitors for the treatment of cancer 安姆根有限公司 2021-06-01 — — CN disclosed
CN-110627708-A Methods of making MDM2 inhibitors and crystalline forms thereof 美国安进公司 2019-12-31 — — CN disclosed
WO-2019203182-A1 COPOLYMER FOR ANTIFOULING COATING COMPOSITION AND ANTIFOULING COATING COMPOSITION CONTAINING SAID COPOLYMER 日東化成株式会社 2019-10-24 — — WO disclosed
US-9770435-B2 Compounds, pharmaceutical composition and methods for use in treating inflammatory diseases OGEDA SA (BE) 2017-09-26 — — US disclosed
US-7094911-B2 Biphenyl and biphenyl-analogous compounds as integrin antagonists BAYER AKTIENGESELLSCHAFT (DE) 2006-08-22 — — US disclosed
WO-2004065350-A1 TERTIARY AMINO ACIDS, THEIR PRODUCTION AND USE MEDIGENE AKTIENGESELLSCHAFT (DE) 2004-08-05 — — WO disclosed
WO-2004065372-A1 TETRAZOLE-FUNCTIONALIZED AMINO ACIDS, THEIR PRODUCTION AND USE MEDIGENE AKTIENGESELLSCHAFT (DE) 2004-08-05 — — WO disclosed
US-20040030132-A1 New biphenyl and biphenyl-analogous compounds as integrin antagonists BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-02-12 — — US disclosed
US-6096741-A FUNGICIDES, TACHYKININ ANTAGONIST SHIONOGI & CO., LTD. (JP) 2000-08-01 — — US disclosed
EP-0770078-A1 8-ARYL-1,6-NAPHTHYRIDIN-5-ONES F. HOFFMANN-LA ROCHE AG (CH) 1997-05-02 — — EP disclosed
WO-1996002541-A1 8-ARYL-1,6-NAPHTHYRIDIN-5-ONES F. HOFFMANN-LA ROCHE AG (CH) 1996-02-01 — — WO disclosed
EP-0023707-B1 SUBSTITUTED TETRAAZATRICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1986-04-30 — — 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 (2 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-20040030132-A1 New biphenyl and biphenyl-analogous compounds as integrin antagonists ITGB2, ITGB1, ITGB3 ALOX5 1623/4885TAAR1 1919/4885CHRNB4 1123/4885
US-20100204209-A1 CCR2 Receptor Antagonists and Uses Thereof CCR2, CCRL2, CCR1 ALOX5 1906/4885TAAR1 312/4885CHRNB4 971/4885

“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.