Sugi Predict

Sugi Predict / Compounds / SCHEMBL118087

SCHEMBL118087

SCHEMBL118087

OC[CH]Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.55
▸ TSHR P16473 2/20 0.50
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ ARG2 P78540 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ CALM1 P0DP23 1/20 0.41
▸ IDO1 P14902 5/20 0.39
▸ THRB P10828 1/20 0.39
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ AKR1B1 P15121 1/20 0.39
▸ TOP1 P11387 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NOS3 P29474 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ TRPA1 O75762 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ LOXL2 Q9Y4K0 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
SCHEMBL28644711 0.86 HTT (0.47) MAOBTSHRCA1CA2IDO1
SCHEMBL74275 0.83 MAOB (0.67) MAOBTSHRCA1CA2ARG2
SCHEMBL4420292 0.80 MAOB (0.50) MAOBTSHRCA1CA2ARG2
SCHEMBL221306 0.77 MAOB (0.75) MAOBTSHRCA1CA2ARG2
SCHEMBL1043663 0.77 CA2 (0.48) CA1CA2TDP1IDO1HPGD
SCHEMBL221307 0.77 MAOB (0.75) MAOBTSHRCA1CA2ARG2
SCHEMBL16291705 0.77 MAOB (0.75) MAOBTSHRCA1CA2ARG2
SCHEMBL4556291 0.77 MAOB (0.46) MAOBTSHRCA1CA2ARG2
SCHEMBL2121986 0.75 IDO1 (0.42) IDO1ALDH1A1
SCHEMBL13733896 0.75 FNTA (0.54) MAOBCA1CA2ARG2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3363788-A1 CANNABINOID RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2018-08-22 — — EP claimed
US-20130165412-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2013-06-27 — — US claimed
US-20120214766-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2012-08-23 — — US claimed
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2012-04-19 — — US claimed
EP-2206704-A1 Pharmaceutically active diazepanes Novartis AG (CH) 2010-07-14 — — EP claimed
US-7470701-B2 Substituted 2,5-heterocyclic derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 — — US claimed
US-20080300237-A1 Pharmaceutically Active Diazepanes OBERHAUSER BERNDT 2008-12-04 — — US claimed
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-10-16 — — US claimed
EP-1874739-A1 PHARMACEUTICALLY ACTIVE DIAZEPANES Novartis AG (CH) 2008-01-09 — — EP claimed
EP-1663962-A4 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORP (US) 2007-08-22 — — EP claimed
EP-0589446-B1 N-(Hydroxyethyl)butanediamide derivatives as renin inhibitors BOEHRINGER INGELHEIM CA LTD (CA) 1997-09-03 — — EP claimed
WO-1997024343-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1997-07-10 — — WO claimed
CN-1087625-A N-(hydroxyethyl) succinic diamide derivative BIO MEGA BOEHRINGER INGELHEIM (CA) 1994-06-08 — — CN claimed
WO-1994007845-A1 N-(HYDROXYETHYL)BUTANEDIAMIDE DERIVATIVES AS RENIN INHIBITORS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-04-14 — — WO claimed
EP-0589446-A1 N-(Hydroxyethyl)butanediamide derivatives as renin inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-03-30 — — EP claimed
EP-0076557-B1 PEPTIDES AND PSEUDOPEPTIDES IN WHICH THE N TERMINUS BEARS TWO SUBSTITUENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-11-13 — — EP claimed
US-4421744-A OPIATE RECEPTOR ANTAGONISTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-12-20 — — US claimed
EP-0076557-A2 Peptides and pseudopeptides in which the N terminus bears two substituents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-04-13 — — EP claimed
US-4211572-A HYDRAULIC CEMENTS, WATER RETENTIVITY PROMOTER TILE COUNCIL OF AMERICA, INC. (US) 1980-07-08 — — US claimed
US-4127495-A BENZYLHYDROXYETHYL CELLULOSE OR PHENYLHYDROXYETHYL HYDROXYETHYL CELLULOSE AS ANTI-REDEPOSITION ADDITIVES HERCULES INCORPORATED (US) 1978-11-28 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20080300237-A1 Pharmaceutically Active Diazepanes VCAM1, ICAM1, CD69 MAOB 1483/4885TSHR 2404/4885CA1 2569/4885
US-20120214766-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 MAOB 2599/4885TSHR 1295/4885CA1 1259/4885
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 MAOB 3839/4885TSHR 2298/4885CA1 1832/4885
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES CYP3A5, ABCG2, ABCB1 MAOB 333/4885TSHR 2791/4885CA1 3133/4885
US-20130165412-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 MAOB 2599/4885TSHR 1295/4885CA1 1259/4885

“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.