SCHEMBL4618802

SCHEMBL4618802

Clc1ccc(OCI)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.52
MAOB P27338 4/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
DRD4 P21917 3/20 0.42
SCN4A P35499 2/20 0.42
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
KCNH2 Q12809 1/20 0.42
LMNA P02545 1/20 0.42
CYP2A6 P11509 1/20 0.42
NR4A2 P43354 1/20 0.41
ALDH3A1 P30838 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL17304552 0.80 DRD4 (0.48) APPMAOBDRD4DRD2DRD3
SCHEMBL2090161 0.79 APP (0.52) APPMAOBCYP1A2CYP2C9CYP2C19
SCHEMBL2529018 0.78 DRD4 (0.52) APPDRD4DRD2DRD3KCNH2
SCHEMBL1003652 0.78 MAOB (0.50) APPMAOBCYP1A2CYP2C9CYP2C19
SCHEMBL1345118 0.78 MAOB (0.57) APPMAOBDRD4DRD2DRD3
SCHEMBL28379819 0.77 ALDH3A1 (0.53) APPDRD4DRD2DRD3KCNH2
SCHEMBL152253 0.76 MAOB (0.48) APPMAOBCYP1A2CYP2C9CYP2C19
SCHEMBL7533336 0.76 APP (0.58) APP
SCHEMBL11750976 0.76 MAOB (0.48) APPMAOBCYP1A2CYP2C9CYP2C19
SCHEMBL9770319 0.76 DRD4 (0.59) DRD4DRD2DRD3KCNH2ALDH3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954287-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2011-11-16 EP disclosed
EP-1888519-A2 STYRYLSULFONAMIDES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-02-20 EP disclosed
WO-2007070173-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-06-21 WO disclosed
WO-2007054139-A2 STYRYLSULFONAMIDES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-05-18 WO disclosed
US-7208526-B2 For example, (E)-2-(4-Chloro-phenyl)-ethenesulfonic acid 2,4-dichloro-benzoylamide; for use in the control or prevention of illnesses such as cancer; antitumor agents HOFFMANN-LA ROCHE INC. (US) 2007-04-24 US disclosed
US-20060270874-A1 Styrylsulfonamides HOFFMANN-LA ROCHE INC. 2006-11-30 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 (1 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-20060270874-A1 Styrylsulfonamides STS, SULT1E1, BRCA1 APP 1968/4885MAOB 1672/4885CYP1A2 836/4885

“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.