Sugi Predict

Sugi Predict / Compounds / SCHEMBL2115007

SCHEMBL2115007

SCHEMBL2115007

Clc1cccc(-c2[c]cccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ALOX5 P09917 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.40
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ GABRB2 P47870 1/20 0.39

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
SCHEMBL27998968 0.96 ALOX5 (0.43) NPC1TP53TSHRNFKB1RAB9A
SCHEMBL7819210 0.93 NPC1 (0.41) NPC1TP53TSHRNFKB1RAB9A
SCHEMBL7180814 0.83 TSHR (0.35) TSHRSMN1; SMN2
SCHEMBL3022644 0.82 ALOX5 (0.42) NPC1TP53TSHRNFKB1RAB9A
SCHEMBL183516 0.80 ALDH1A1 (0.35) RAB9A
SCHEMBL27574720 0.80 FFAR1 (0.39) ALOX5TAAR1MAOBESR2
SCHEMBL8590691 0.79 CYP2A6 (0.50) NPC1RAB9ASMN1; SMN2ALOX5ESR2
SCHEMBL7459587 0.79 TAAR1 (0.44) NPC1TP53TSHRNFKB1RAB9A
SCHEMBL26567 0.79 MAOA (0.41) ALOX5
SCHEMBL589437 0.79 MAOA (0.41) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014016766-A1 GUANIDINE DERIVATIVES AS TRPC MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2014-01-30 — — WO disclosed
US-8158641-B2 2-anilino-4-aminoalkyleneaminopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-17 — — US disclosed
US-8026258-B2 Aryloxyalkylcarbamate-type derivatives, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2011-09-27 — — US disclosed
US-20100120845-A1 ARYLOXYALKYLCARBAMATE-TYPE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-05-13 — — US disclosed
US-7674805-B2 Aryloxyalkylcarbamate-type derivatives, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2010-03-09 — — US disclosed
CN-100537534-C Aryloxyalkylcarbamate derivatives, their preparation and therapeutic use SANOFI AVENTIS (FR) 2009-09-09 — — CN disclosed
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-16 — — US disclosed
EP-2032543-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES Boehringer Ingelheim International GmbH (DE) 2009-03-11 — — EP disclosed
US-20080312262-A1 ARYLOXYALKYLCARBAMATE-TYPE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2008-12-18 — — US disclosed
US-7439257-B2 Aryloxyalkylcarbamate-type derivatives, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2008-10-21 — — US disclosed
EP-0727998-B1 OXAZOLES FOR TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORP (US) 2004-01-21 — — EP disclosed
EP-0724569-B1 PROCESS FOR THE PREPARATION OF AN OXIRANE, AZIRIDINE OR CYCLOPROPANE AVECIA LTD (GB) 2003-03-12 — — EP disclosed
EP-1223167-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle & Co. (US) 2002-07-17 — — EP disclosed
EP-1177188-A1 PYRAZOLE CARBOXAMIDES USEFUL FOR THE TREATMENT OF OBESITY AND OTHER DISORDERS Ortho-McNeil Pharmaceutical, Inc. (US) 2002-02-06 — — EP disclosed
WO-2000069849-A1 PYRAZOLE CARBOXAMIDES USEFUL FOR THE TREATMENT OF OBESITY AND OTHER DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-11-23 — — WO disclosed
US-5703246-A REACTING AN ORGANOMETALLIC COMPOUND WITH ORGANOSULFUR COMPOUND ZENECA LIMITED (GB) 1997-12-30 — — US disclosed
US-5190958-A Fungicides SHELL RESEARCH LIMITED (GB) 1993-03-02 — — US disclosed
US-4943314-A Pyridine-3-carboxamide derivatives having plant growth inhibiting activity DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1990-07-24 — — US disclosed
US-4844732-A PLANT GROWTH REGULATORS DAICEL CHEMICAL INDUSTRIES LTD. (JP) 1989-07-04 — — US disclosed
US-4524168-A AZO DYES CIBA-GEIGY CORPORATION (US) 1985-06-18 — — 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 (3 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-20100120845-A1 ARYLOXYALKYLCARBAMATE-TYPE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS CMBL, ALK, ALKBH1 NPC1 130/4885TP53 2629/4885TSHR 1439/4885
US-20080312262-A1 ARYLOXYALKYLCARBAMATE-TYPE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS CMBL, ALK, ALKBH1 NPC1 130/4885TP53 2629/4885TSHR 1439/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG NPC1 3660/4885TP53 3322/4885TSHR 4290/4885

“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.