SCHEMBL4385517

SCHEMBL4385517

O=Cc1cc2ccc(Cl)cc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.58
TDP1 Q9NUW8 1/20 0.39
ERN1 O75460 1/20 0.37
CHRNA7 P36544 3/20 0.36
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
GFER P55789 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
BCKDK O14874 1/20 0.35
MCL1 Q07820 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL3618744 0.85 CYP2A6 (0.62) CYP2A6TDP1ERN1CHRNA7HSD17B10
SCHEMBL23775695 0.78 CYP2A6 (0.60) CYP2A6TDP1HSD17B10KDM4EALDH1A1
SCHEMBL30197462 0.77 CYP2A6 (0.58) CYP2A6ERN1CHRNA7ALDH1A1MAPT
SCHEMBL28086785 0.77 CYP2A6 (0.73) CYP2A6CHRNA7KDM4EALDH1A1GAA
SCHEMBL21234909 0.77 CYP2A6 (0.58) CYP2A6GAAMAPTHTT
SCHEMBL20391352 0.77 CYP2A6 (0.58) CYP2A6ALDH1A1
SCHEMBL6963606 0.77 CYP2A6 (0.58) CYP2A6TDP1CHRNA7KDM4EMEN1
SCHEMBL2083165 0.77 CYP2A6 (0.58) CYP2A6ERN1CHRNA7ALDH1A1MAPT
SCHEMBL12683402 0.77 CYP2A6 (0.61) CYP2A6
SCHEMBL3622210 0.76 ITGB2 (0.42) CHRNA7MAPTKMT2ABCKDKMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0440329-A1 S-substituted carbonyl substituted betathioacrylamide biocides and fungicides ROHM AND HAAS COMPANY (US) 1991-08-07 EP claimed
US-20220396581-A1 COMPOUNDS FOR THE TREATMENT OF PARAMYXOVIRUS VIRAL INFECTIONS Janssen Biopharma, Inc. (US) 2022-12-15 US disclosed
US-11014935-B2 Compounds for the treatment of paramyxovirus viral infections Janssen Biopharma, Inc. (US) 2021-05-25 US disclosed
US-20170283429-A1 COMPOUNDS FOR THE TREATMENT OF PARAMYXOVIRUS VIRAL INFECTIONS Janssen Biopharma, Inc. 2017-10-05 US disclosed
EP-2947085-B1 OXAZOLIDONE COMPOUNDS, METHOD FOR PREPARING AND APPLICATION THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2017-09-13 EP disclosed
US-9724351-B2 Compounds for the treatment of paramoxyvirus viral infections ALIOS BIOPHARMA, INC. (US) 2017-08-08 US disclosed
EP-2947085-A1 OXAZOLIDONE COMPOUND, PREPARING METHOD AND APPLICATION THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2015-11-25 EP disclosed
US-20150238498-A1 COMPOUNDS FOR THE TREATMENT OF PARAMOXYVIRUS VIRAL INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2015-08-27 US disclosed
EP-2888240-A1 COMPOUNDS FOR THE TREATMENT OF PARAMOXYVIRUS VIRAL INFECTIONS Alios Biopharma, Inc. (US) 2015-07-01 EP disclosed
WO-2014110971-A1 OXAZOLIDONE COMPOUND, PREPARING METHOD AND APPLICATION THEREOF 中国科学院上海药物研究所 (CN) 2014-07-24 WO disclosed
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 US disclosed
EP-1051176-A4 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARM PROD INC (US) 2002-06-12 EP disclosed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO disclosed
EP-1051176-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2000-11-15 EP disclosed
WO-2000032590-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-08 WO disclosed
WO-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 WO disclosed
US-5300672-A For water systems, plant diseases ROHM AND HAAS COMPANY (US) 1994-04-05 US disclosed
US-5166390-A Bactericides ROHM AND HAAS COMPANY (US) 1992-11-24 US disclosed
EP-0440329-A1 S-substituted carbonyl substituted betathioacrylamide biocides and fungicides ROHM AND HAAS COMPANY (US) 1991-08-07 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 (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-20150238498-A1 COMPOUNDS FOR THE TREATMENT OF PARAMOXYVIRUS VIRAL INFECTIONS SARS1, MAVS, ZC3HAV1 CYP2A6 4205/4885TDP1 2145/4885ERN1 960/4885
US-20220396581-A1 COMPOUNDS FOR THE TREATMENT OF PARAMYXOVIRUS VIRAL INFECTIONS MAVS, SARS1, ZC3HAV1 CYP2A6 4442/4885TDP1 2775/4885ERN1 1684/4885
US-11014935-B2 Compounds for the treatment of paramyxovirus viral infections MAVS, SARS1, ZC3HAV1 CYP2A6 4442/4885TDP1 2775/4885ERN1 1684/4885
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds F13B, F9, F11 CYP2A6 165/4885TDP1 3183/4885ERN1 2776/4885
US-20170283429-A1 COMPOUNDS FOR THE TREATMENT OF PARAMYXOVIRUS VIRAL INFECTIONS MAVS, SARS1, ZC3HAV1 CYP2A6 4442/4885TDP1 2775/4885ERN1 1684/4885

“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.