Sugi Predict

Sugi Predict / Compounds / SCHEMBL2083077

SCHEMBL2083077

SCHEMBL2083077

O=Cc1ncccc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ TOP1 P11387 1/20 0.40
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ PTPRC P08575 2/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ PTPN13 Q12923 1/20 0.38
▸ S100A4 P26447 1/20 0.38
▸ CDC25B P30305 1/20 0.38
▸ TRIM24 O15164 1/20 0.38
▸ TRIM33 Q9UPN9 1/20 0.38
▸ TDP2 O95551 1/20 0.38
▸ NSD2 O96028 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
SCHEMBL3341430 0.92 ALDH1A1 (0.41) ALDH1A1HTTHSD17B10PTGS1PTGS2
SCHEMBL8512088 0.85 S100A4 (0.45) ALDH1A1HTTPTPRCCTSLCTSS
SCHEMBL29185428 0.85 CASP3 (0.45) ALDH1A1HTTHSD17B10PTGS1PTGS2
SCHEMBL30069637 0.83 NFE2L2 (0.42) PTGS1PTGS2TOP1MAPTGLO1
SCHEMBL2083783 0.83 COMT (0.44) ALDH1A1HTTPTGS1PTGS2MEN1
SCHEMBL24742077 0.83 NFE2L2 (0.42) PTGS1PTGS2TOP1MAPTGLO1
SCHEMBL2082335 0.83 CYP2A6 (0.50) ALDH1A1HTTHSD17B10PTGS2CYP2A6
SCHEMBL10119498 0.83 TDP1 (0.47) ALDH1A1HTTHSD17B10PTGS1PTGS2
SCHEMBL28335272 0.83 TRIM24 (0.43) ALDH1A1HTTHSD17B10PTGS2PTPRC
SCHEMBL28753109 0.83 ABL1 (0.40) ABL1MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116497375-A Method for electrochemically preparing benzyl alcohol 中国科学院化学研究所 2023-07-28 — — CN claimed
CN-112812137-A Preparation method and application of binuclear Ir (III) metal-organic triple helix structure compound 大连理工大学 2021-05-18 — — CN claimed
CN-107253894-B Process for hydroxylation of halogenated aromatic compounds 衡阳师范学院 2021-02-12 — — CN claimed
CN-107253894-A The hydroxylacion method of halogenated aromatic compound 衡阳师范学院 2017-10-17 — — CN claimed
CN-104844631-A Copper metal complex and compound prepared from copper metal complex and human serum albumin as well as synthesis method and application thereof UNIV GUANGXI NORMAL 2015-08-19 — — CN claimed
US-20260070901-A1 NOVEL COMPOUNDS AS CK2 INHIBITORS CAMBRIDGE ENTPR LTD (GB) 2026-03-12 — — US disclosed
CN-121586856-A Optical materials derived from polymerizable compositions containing terminal alkyne and thiol functionalities 依视路国际公司 2026-02-27 — — CN disclosed
CN-116685310-A Cyclic oxaphosphacyclohexane compounds and analogs thereof for the treatment of fibrotic diseases 弗斯汀治疗公司 2023-09-01 — — CN disclosed
CN-116497375-A Method for electrochemically preparing benzyl alcohol 中国科学院化学研究所 2023-07-28 — — CN disclosed
CN-116471947-A Composition and method for producing the same 奇华顿股份有限公司 2023-07-21 — — CN disclosed
CN-110563641-B Ortho-halogenated phenyl pyridine ketone compound and preparation method thereof 三峡大学 2023-03-24 — — CN disclosed
CN-108770357-B Polymer conjugate vaccines 芝加哥大学 2022-10-28 — — CN disclosed
WO-2005020976-A2 TREATMENT OF PERVASIVE DEVELOPMENTAL DISORDERS WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-03-10 — — WO disclosed
WO-2005000811-A1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2005-01-06 — — WO disclosed
WO-2004091518-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2004-10-28 — — WO disclosed
US-20040209921-A1 CXCR4 chemokine receptor binding comounds ANORMED CORPORATION (CA) 2004-10-21 — — US disclosed
WO-2003084662-A2 COVALENTLY FIXED LIGAND SYSTEMS, NON-METALLOCENE SYSTEMS AND CATALYST SYSTEMS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF FOR POLYMERIZING OLEFINS CELANESE VENTURES GMBH (DE) 2003-10-16 — — WO disclosed
US-4376769-A Substituted imidazo thiazoles thiazines, thiazepines and thiazocines SCHERING CORPORATION (US) 1983-03-15 — — US disclosed
US-4307232-A Preparation of dialkyl- and diarylphosphonoalkanoic acids and substituted acrylic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-12-22 — — US disclosed
US-4017313-A Photosensitive composition containing a leuco dye, a photosensitizer, an aromatic aldehyde and a secondary or tertiary amine and the use thereof in a direct-print process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-04-12 — — 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 (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-20260070901-A1 NOVEL COMPOUNDS AS CK2 INHIBITORS CSNK1A1, CSNK2A3, CSNK1G1 ALDH1A1 3874/4885HTT 2842/4885HSD17B10 2117/4885
US-20040209921-A1 CXCR4 chemokine receptor binding comounds CXCR4, CXCR1, CXCR3 ALDH1A1 357/4885HTT 4384/4885HSD17B10 2262/4885

“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.