SCHEMBL4586154

SCHEMBL4586154

O/N=C(\Cc1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.55
KDM4E B2RXH2 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CTBP2 P56545 1/20 0.50
XDH P47989 6/20 0.49
MGLL Q99685 3/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
ATM Q13315 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
AKR1B1 P15121 1/20 0.44
NLRP3 Q96P20 2/20 0.42
TLR4 O00206 1/20 0.42

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
SCHEMBL257218 1.00 CTSL (0.55) CTSLKDM4ESMN1; SMN2CTBP2XDH
SCHEMBL4586157 1.00 CTSL (0.55) CTSLKDM4ESMN1; SMN2CTBP2XDH
SCHEMBL8407033 0.88 MGLL (0.58) CTSLKDM4ESMN1; SMN2CTBP2XDH
SCHEMBL28302059 0.88 LMNA (0.52) CTSLKDM4ESMN1; SMN2CTBP2XDH
SCHEMBL4586342 0.86 ALDH1A1 (0.51) CTSLKDM4ESMN1; SMN2CTBP2XDH
SCHEMBL9324776 0.86 KDM4E (0.46) CTSLKDM4ESMN1; SMN2CTBP2XDH
SCHEMBL9324768 0.86 KDM4E (0.46) CTSLKDM4ESMN1; SMN2CTBP2XDH
SCHEMBL9321485 0.86 GAA (0.50) CTSLKDM4ESMN1; SMN2CTBP2XDH
SCHEMBL4587535 0.86 SMN1; SMN2 (0.50) CTSLKDM4ESMN1; SMN2CTBP2XDH
SCHEMBL13853886 0.86 KDM4E (0.54) CTSLKDM4ESMN1; SMN2CTBP2XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112479997-B Synthetic method of 2, 3-diphenylquinoline 湖南工程学院 2022-02-08 CN claimed
CN-112830913-A Method for preparing 2, 5-furan diformylaldoxime 中国科学院宁波材料技术与工程研究所 2021-05-25 CN claimed
EP-1438300-A1 METHOD FOR PREPARING BENZENESULFONYL COMPOUNDS Pharmacia Corporation (US) 2004-07-21 EP claimed
US-20030105334-A1 Method for preparing benzenesulfonyl compounds LETENDRE LEO J (US) 2003-06-05 US claimed
WO-2003029230-A1 METHOD FOR PREPARING BENZENESULFONYL COMPOUNDS PHARMACIA CORPORATION (US) 2003-04-10 WO claimed
CN-112479997-B Synthetic method of 2, 3-diphenylquinoline 湖南工程学院 2022-02-08 CN disclosed
CN-112830913-A Method for preparing 2, 5-furan diformylaldoxime 中国科学院宁波材料技术与工程研究所 2021-05-25 CN disclosed
CN-110938043-A Parecoxib sodium genotoxic impurity and preparation method thereof 上海秀新臣邦医药科技有限公司 2020-03-31 CN disclosed
US-9096739-B2 Cellulose acetate film SK INNOVATION CO., LTD. (KR) 2015-08-04 US disclosed
US-20150053113-A1 Cellulose Acetate Film SK INNOVATION CO., LTD. (KR) 2015-02-26 US disclosed
EP-1556364-A4 ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME CJ CORP (KR) 2008-04-16 EP disclosed
US-7329401-B2 Cyclooxygenase-2 selective agents useful as imaging probes and related methods THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-02-12 US disclosed
EP-1438300-A1 METHOD FOR PREPARING BENZENESULFONYL COMPOUNDS Pharmacia Corporation (US) 2004-07-21 EP disclosed
WO-2004035553-A1 ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME CJ CORP. (KR) 2004-04-29 WO disclosed
US-20040072884-A1 Isothiazole derivatives, process for the preparation thereof, and pharmaceutical composition including the same CJ CORP. (KR) 2004-04-15 US disclosed
US-20030105334-A1 Method for preparing benzenesulfonyl compounds LETENDRE LEO J (US) 2003-06-05 US disclosed
WO-2003029230-A1 METHOD FOR PREPARING BENZENESULFONYL COMPOUNDS PHARMACIA CORPORATION (US) 2003-04-10 WO disclosed
US-5608069-A TREATMENT OF NERVOUS SYSTEM DISORDERS WITH GAMMA-AMINOBUTYRIC ACID NOVO NORDISK A/S (DK) 1997-03-04 US disclosed
US-5380854-A Anticoagulants for surgery BRISTOL-MYERS SQUIBB COMPANY (US) 1995-01-10 US disclosed
US-5254576-A Diphenyl-heterocyclic-oxazole as platelet aggregation inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1993-10-19 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-20030105334-A1 Method for preparing benzenesulfonyl compounds TST, PTGS2, STS CTSL 2598/4885KDM4E 877/4885SMN1; SMN2 2104/4885
US-20040072884-A1 Isothiazole derivatives, process for the preparation thereof, and pharmaceutical composition including the same CYP3A5, CYP2C9, CYP2C19 CTSL 4063/4885KDM4E 2784/4885SMN1; SMN2 3366/4885

“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.