Sugi Predict

Sugi Predict / Compounds / SCHEMBL973063

SCHEMBL973063

SCHEMBL973063

O=[N+]([O-])c1c[c]c(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ TSHR P16473 4/20 0.44
▸ GPR35 Q9HC97 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CES1 P23141 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ACHE P22303 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ERN1 O75460 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL193215 0.76 ALDH1A1 (0.43) ALDH1A1TSHRCES1CA1CA2
SCHEMBL18603 0.76 ALDH1A1 (0.43) ALDH1A1TSHRCES1CA1CA2
SCHEMBL146709 0.74 ALDH1A1 (0.44) ALDH1A1TSHRCES1CA1CA2
SCHEMBL218653 0.74 HSD17B10 (0.52) ALDH1A1TSHRMAPK1CES1CA1
SCHEMBL3885956 0.74 ALDH1A1 (0.52) ALDH1A1TSHRGAATHRBCA1
SCHEMBL193032 0.74 HSD17B10 (0.47) ALDH1A1TSHRCES1CA1CA2
SCHEMBL2906487 0.74 ALDH1A1 (0.41) ALDH1A1TSHRCES1CA1CA2
SCHEMBL3282224 0.74 TDP1 (0.52) ALDH1A1TSHRMAPK1TP53CES1
SCHEMBL21268230 0.74 TSHR (0.48) ALDH1A1TSHRCES1CA1CA2
SCHEMBL6045077 0.72 GPR35 (0.52) ALDH1A1TSHRGPR35MAPK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117285451-A Polysubstituted pyrrole compound and synthetic method and application thereof 重庆文理学院 2023-12-26 — — CN claimed
EP-3947351-A2 SMALL MOLECULE PARG INHIBITORS AND METHODS OF USE THEREOF Board of Regents, The University of Texas System (US) 2022-02-09 — — EP claimed
WO-2020205646-A2 SMALL MOLECULE PARG INHIBITORS AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-10-08 — — WO claimed
US-20170079954-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2017-03-23 — — US claimed
US-9540351-B2 Pharmaceutically acceptable salts of 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2017-01-10 — — US claimed
EP-3046918-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS Axikin Pharmaceuticals, Inc. (US) 2016-07-27 — — EP claimed
US-9382237-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2016-07-05 — — US claimed
CN-105722836-A PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS 埃克希金医药品有限公司 2016-06-29 — — CN claimed
US-9365556-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2016-06-14 — — US claimed
US-9346792-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2016-05-24 — — US claimed
EP-0955046-B1 Amino acid derivatives as anti-inflammatory agents AJINOMOTO KK (JP) 2005-06-22 — — EP claimed
EP-1408963-A1 2- 5-(5-CARBAMIMIDOYL-1 i H /i -HETEROARYL)-6-HYDROXYBIPHENYL-3-YL]-SUCCINIC ACID DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-04-21 — — EP claimed
US-20030114457-A1 2- [5- (5-carbamimidoyl-1H-heteroaryl)-6-hydroxybiphenyl-3-yl]-succinic acid derivatives as factor viia inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-06-19 — — US claimed
WO-2003006011-A1 2-[5-(5-CARBAMIMIDOYL-1H-HETEROARYL)-6-HYDROXYBIPHENYL-3-YL]-SUCCINIC ACID DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-01-23 — — WO claimed
US-5723413-A Substituted naphthyridines and their herbicidal use BASF AKTIENGESELLSCHAFT (DE) 1998-03-03 — — US claimed
EP-0669332-A2 Substituted naphtyridines and their use as herbicides BASF Aktiengesellschaft (DE) 1995-08-30 — — EP claimed
EP-0278910-B1 HEAVY METAL COMPLEX DYESTUFFS, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1992-01-22 — — EP claimed
US-4960870-A DYEING WOOL, POLYAMIDES; FIBER REACTIVE DYES CIBA-GEIGY CORPORATION (US) 1990-10-02 — — US claimed
US-4550158-A DYE FOR PAPER AND LEATHER SANDOZ LTD. (CH) 1985-10-29 — — US claimed
US-4046757-A 2-Optionally substituted alkyl-and phenylsulfonylphenyl-azo-phenyl dyes and a process for their synthesis SANDOZ LTD. (CH) 1977-09-06 — — 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 (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-20170079954-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS GRK3, DMPK, PRKAG3 ALDH1A1 1676/4885TSHR 2186/4885GPR35 910/4885
US-20030114457-A1 2- [5- (5-carbamimidoyl-1H-heteroaryl)-6-hydroxybiphenyl-3-yl]-succinic acid derivatives as factor viia inhibitors F7, F9, F5 ALDH1A1 2797/4885TSHR 4118/4885GPR35 4460/4885

“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.