SCHEMBL2723054

SCHEMBL2723054

O=C(Cl)c1sc2cc(Cl)ccc2c1Cl

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCKDK O14874 2/20 0.75
MCL1 Q07820 2/20 0.75
RXFP1 Q9HBX9 2/20 0.75
RAB9A P51151 6/20 0.60
NPC1 O15118 5/20 0.60
MAPT P10636 6/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
HPGD P15428 4/20 0.53
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
LMNA P02545 2/20 0.53
OPRK1 P41145 1/20 0.53
BCL2L1 Q07817 1/20 0.53
NPSR1 Q6W5P4 3/20 0.51

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
SCHEMBL6886010 0.86 MCL1 (1.00) BCKDKMCL1RXFP1RAB9ANPC1
SCHEMBL8877598 0.86 MCL1 (0.56) BCKDKMCL1RXFP1RAB9ANPC1
Hydrochloric Acid SCHEMBL11394582 0.84 MCL1 (0.97) BCKDKMCL1RXFP1RAB9ANPC1
SCHEMBL25735859 0.84 MCL1 (0.73) BCKDKMCL1RXFP1RAB9ANPC1
SCHEMBL2279755 0.83 BCKDK (0.77) BCKDKMCL1RXFP1RAB9ANPC1
SCHEMBL5023231 0.83 MCL1 (0.77) BCKDKMCL1RXFP1RAB9ANPC1
SCHEMBL6840191 0.83 MCL1 (0.53) BCKDKMCL1RXFP1RAB9ANPC1
SCHEMBL30671951 0.83 MCL1 (0.53) BCKDKMCL1RXFP1RAB9ANPC1
SCHEMBL1254412 0.83 MCL1 (0.51) BCKDKMCL1RXFP1RAB9ANPC1
SCHEMBL17988517 0.80 MCL1 (0.51) BCKDKMCL1RXFP1RAB9ANPC1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0731800-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF 3-CHLOROBENZO [b]THIOPHENE-2-CARBONYL CHLORIDES WARNER-LAMBERT COMPANY (US) 1996-09-18 EP claimed
US-5426191-A Treating substituted cinnamic acids with 4-N,N*-disubstituted aminopyridines, then with thionyl chloride WARNER-LAMBERT COMPANY (US) 1995-06-20 US claimed
WO-1995015323-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF 3-CHLOROBENZO[b]THIOPHENE-2-CARBONYL CHLORIDES WARNER-LAMBERT COMPANY (US) 1995-06-08 WO claimed
EP-2947085-B1 OXAZOLIDONE COMPOUNDS, METHOD FOR PREPARING AND APPLICATION THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2017-09-13 EP disclosed
US-9382265-B2 Oxazolidone compound, preparing method and application thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2016-07-05 US disclosed
US-20150361091-A1 OXAZOLIDONE COMPOUND, PREPARING METHOD AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-12-17 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-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
EP-2635559-A2 NEUROTRYPSIN INHIBITORS Neurotune AG (CH) 2013-09-11 EP disclosed
WO-2012059442-A2 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2012-05-10 WO disclosed
US-5608074-A Process for the synthesis of 5-amino tetrazole derivatives WARNER-LAMBERT COMPANY (US) 1997-03-04 US disclosed
EP-0731800-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF 3-CHLOROBENZO [b]THIOPHENE-2-CARBONYL CHLORIDES WARNER-LAMBERT COMPANY (US) 1996-09-18 EP disclosed
US-5426191-A Treating substituted cinnamic acids with 4-N,N*-disubstituted aminopyridines, then with thionyl chloride WARNER-LAMBERT COMPANY (US) 1995-06-20 US disclosed
WO-1995015323-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF 3-CHLOROBENZO[b]THIOPHENE-2-CARBONYL CHLORIDES WARNER-LAMBERT COMPANY (US) 1995-06-08 WO disclosed
US-4259336-A ANALGESIC, ANTIPYRETIC, ANTITHROMBOTIC, ANTIPHLOGISTIC BOEHRINGER INGELHEIM GMBH (DE) 1981-03-31 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-20130261130-A1 NEUROTRYPSIN INHIBITORS MTPN, CHRNA7, CHRNA10 BCKDK 3668/4885MCL1 4822/4885RXFP1 97/4885
US-20150361091-A1 OXAZOLIDONE COMPOUND, PREPARING METHOD AND APPLICATION THEREOF CYP3A43, CYP2C9, F2 BCKDK 1168/4885MCL1 3251/4885RXFP1 214/4885

“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.