Sugi Predict

Sugi Predict / Compounds / SCHEMBL3645137

SCHEMBL3645137

SCHEMBL3645137

NC(c1ccccc1)c1cccs1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.46
▸ DPP4 P27487 2/20 0.42
▸ F2 P00734 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ OPRL1 P41146 1/20 0.40
▸ ALOX5 P09917 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ CES2 O00748 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL4001740 1.00 MAPT (0.46) MAPTDPP4F2TSHRTP53
SCHEMBL3296607 0.84 ALOX5 (0.42) MAPTTSHRALOX5SLC6A3CES2
SCHEMBL3302760 0.82 ADRB2 (0.42) MAPTTSHRALOX5SLC6A3HTT
SCHEMBL3835300 0.82 SLC6A3 (0.41) MAPTTSHRTP53ALOX5SLC6A3
Iodide SCHEMBL28780518 0.81 ALOX5 (0.41) MAPTTSHRALOX5SLC6A3CES2
SCHEMBL28414359 0.81 DPP4 (0.58) MAPTDPP4F2TSHRTP53
Hydrochloric Acid SCHEMBL32664966 0.80 ALOX5 (0.40) MAPTTSHRALOX5SLC6A3HTT
SCHEMBL1537396 0.77 MAPT (0.57) MAPTTSHRTP53OPRM1OPRD1
SCHEMBL31065464 0.77 MAPT (0.57) MAPTTSHRTP53OPRM1OPRD1
SCHEMBL945317 0.76 MAPT (0.44) MAPTTSHRTP53OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230135729-A1 COMPOUND WITH ANTI-SPORE ACTIVITY AND PHARMACEUTICAL COMPOSITION THEREOF CHENGDU BIOBEL COMPANY LIMITED (CN) 2023-05-04 — — US disclosed
US-20230135729-A1 COMPOUND WITH ANTI-SPORE ACTIVITY AND PHARMACEUTICAL COMPOSITION THEREOF CHENGDU BIOBEL COMPANY LIMITED (CN) 2023-05-04 — — US disclosed
CN-114380753-A Aryl or heteroaryl substituted quinoxaline-2, 3-diamine compound and antibacterial application thereof 中国医学科学院药物研究所 2022-04-22 — — CN disclosed
WO-2021147123-A1 COMPOUND HAVING ANTISPORULANT ACTIVITY AND PHARMACEUTICAL COMPOSITION THEREOF 成都贝诺科成生物科技有限公司 2021-07-29 — — WO disclosed
CN-105829316-B Tetrahydro-tetrazolo [1,5-a] pyrazine as ROR gamma inhibitors 默克专利股份公司 2019-01-08 — — CN disclosed
CN-105829316-A Tetrahydro-tetrazolo[1,5-a]pyrazines as ROR-gamma inhibitors 默克专利股份公司 2016-08-03 — — CN disclosed
EP-1697354-B1 ISOTHIAZOLE DIOXIDES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS MERCK SHARP & DOHME (US) 2013-08-07 — — EP disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 — — US disclosed
EP-2104677-B1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-12-07 — — EP disclosed
US-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands SCHERING CORPORATION (US) 2011-09-01 — — US disclosed
EP-1818325-A2 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2007-08-15 — — EP disclosed
CN-1972911-A 2-(1h-indolylsulfanyl)-aryl amine derivatives for use in the treatment of affective disorders, pain, adhd and stress urinary incontinence LUNDBECK & CO AS H (DK) 2007-05-30 — — CN disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 — — US disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 — — US disclosed
US-20040077821-A1 Flame retarding resin composition CHANG CHUN PLASTICS CO., LTD. (TW) 2004-04-22 — — US disclosed
US-5153226-A Administering as anticholesterol agents, for atherosclerosis WARNER-LAMBERT COMPANY (US) 1992-10-06 — — US disclosed
US-5030647-A Anti-inflammatory thienylbenzylamine compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1991-07-09 — — US disclosed
US-5030647-A Anti-inflammatory thienylbenzylamine compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1991-07-09 — — US disclosed
US-5030647-A Anti-inflammatory thienylbenzylamine compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1991-07-09 — — US disclosed
EP-0415413-A1 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-06 — — 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 (4 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 MAPT 1692/4885DPP4 1121/4885F2 814/4885
US-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands CCR1, ACKR3, CXCR1 MAPT 4618/4885DPP4 2687/4885F2 1379/4885
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands CCR1, ACKR3, CXCR1 MAPT 4618/4885DPP4 2687/4885F2 1379/4885
US-20230135729-A1 COMPOUND WITH ANTI-SPORE ACTIVITY AND PHARMACEUTICAL COMPOSITION THEREOF CASP9, CLPP, CASP1 MAPT 2389/4885DPP4 1813/4885F2 2925/4885

“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.