SCHEMBL3922906

SCHEMBL3922906

CSC(=NS(=O)(=O)c1ccc(Cl)cc1)SC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.71
ALDH1A1 P00352 6/20 0.68
MAPT P10636 5/20 0.68
KDM4E B2RXH2 4/20 0.68
LMNA P02545 3/20 0.68
SMN1; SMN2 Q16637 1/20 0.62
F2 P00734 2/20 0.59
PRSS1 P07477 2/20 0.59
PRSS2 P07478 2/20 0.59
PRSS3 P35030 2/20 0.59
GAA P10253 1/20 0.50
TDP1 Q9NUW8 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL1564086 0.83 HTT (1.00) HTTALDH1A1MAPTKDM4ELMNA
SCHEMBL11185956 0.82 ALDH1A1 (0.67) HTTALDH1A1MAPTKDM4ELMNA
SCHEMBL1179639 0.81 HTT (0.71) HTTALDH1A1MAPTKDM4ELMNA
SCHEMBL30630025 0.81 HTT (0.71) HTTALDH1A1MAPTKDM4ELMNA
SCHEMBL3618541 0.81 MAPT (1.00) HTTALDH1A1MAPTKDM4ELMNA
SCHEMBL11350758 0.81 HTT (0.60) HTTALDH1A1MAPTKDM4ELMNA
SCHEMBL1178744 0.79 HTT (0.67) HTTALDH1A1MAPTKDM4ELMNA
SCHEMBL12886466 0.79 HTT (0.67) HTTALDH1A1MAPTKDM4ELMNA
SCHEMBL26546139 0.77 HTT (0.65) HTTALDH1A1MAPTKDM4ELMNA
SCHEMBL8980136 0.73 ALDH1A1 (0.64) ALDH1A1MAPTKDM4ELMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236805-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2012-08-07 US disclosed
US-8236805-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2012-08-07 US disclosed
US-7700597-B2 Substituted piperazines as CB1 antagonists SCHERING CORPORATION (US) 2010-04-20 US disclosed
US-7700597-B2 Substituted piperazines as CB1 antagonists SCHERING CORPORATION (US) 2010-04-20 US disclosed
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2010-02-04 US disclosed
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2010-02-04 US disclosed
US-7528162-B2 4,5-dihydro-1H-pyrazole derivatives having CB1-antagonistic activity SOLVAY PHARMACEUTICALS, B.V. (NL) 2009-05-05 US disclosed
EP-1268435-B1 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVES HAVING CB 1-ANTAGONISTIC ACTIVITY SOLVAY PHARM BV (NL) 2006-11-22 EP disclosed
EP-1429761-B1 NOVEL 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVES HAVING CB1-ANTAGONISTIC ACTIVITY SOLVAY PHARM BV (NL) 2006-11-08 EP disclosed
EP-1373216-B1 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVES HAVING CB1-ANTAGONISTIC ACTIVITY SOLVAY PHARM BV (NL) 2004-12-15 EP disclosed
EP-1268435-A1 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVES HAVING CB 1-ANTAGONISTIC ACTIVITY Solvay Pharmaceuticals B.V. (NL) 2003-01-02 EP disclosed
US-6476060-B2 DRUG ABUSE; PSYCHOLOGICAL DISORDERS; GASTROINTESTINAL DISORDERS; CARDIOVASCUALR DISORDERS SOLVAY PHARMACEUTICALS, B.V. (NL) 2002-11-05 US disclosed
WO-2002076949-A1 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVES HAVING CB1-ANTAGONISTIC ACTIVITY SOLVAY PHARMACEUTICALS B.V. (NL) 2002-10-03 WO disclosed
US-20010053788-A1 4,5-dihydro-1H-pyrazole derivatives having CB1-antagonistic activity SOLVAY PHARMACEUTICALS B.V. 2001-12-20 US disclosed
WO-2001070700-A1 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVES HAVING CB1-ANTAGONISTIC ACTIVITY SOLVAY PHARMACEUTICALS B.V. (NL) 2001-09-27 WO disclosed
US-4289876-A HISTAMINE H2 RECEPTOR BLOCKING AGENTS, ANTIULCER BRISTOL-MYERS COMPANY (US) 1981-09-15 US disclosed
US-4282363-A ANTIULCER BRISTOL-MYERS COMPANY (US) 1981-08-04 US disclosed
US-4250316-A Pyridyl guanidine anti-ulcer agents BRISTOL-MYERS COMPANY (US) 1981-02-10 US disclosed
US-4203909-A ANTIULCER BRISTOL-MYERS COMPANY (US) 1980-05-20 US disclosed
US-4200578-A ANTIULCER AGENTS, BLOCKING AGENTS, ANTISECRETORY AGENTS BRISTOL-MYERS COMPANY (US) 1980-04-29 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-20010053788-A1 4,5-dihydro-1H-pyrazole derivatives having CB1-antagonistic activity CNR1, CNR2, CBR3 HTT 2041/4885ALDH1A1 527/4885MAPT 3867/4885
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 HTT 1252/4885ALDH1A1 1520/4885MAPT 1481/4885

“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.