SCHEMBL1591744

SCHEMBL1591744

O=S(=O)(NC1=NCCc2ccccc21)c1c(Cl)nc2n1CCS2

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.49
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
TNKS2 Q9H2K2 3/20 0.31
MAPK1 P28482 1/20 0.31
TNKS O95271 1/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL1422668 0.78 HTR6 (0.51) HTR6
SCHEMBL1590988 0.74 ALDH1A1 (0.51) HTR6ALDH1A1KDM4EPOLB
SCHEMBL1590266 0.73 HTR6 (0.66) HTR6
SCHEMBL1590856 0.72 HTR6 (0.53) HTR6ALDH1A1TNKS2TNKSPOLB
SCHEMBL1591407 0.72 HTR6 (0.57) HTR6ALDH1A1KDM4ETNKS2POLB
SCHEMBL1590191 0.72 HTR6 (0.60) HTR6POLB
SCHEMBL1590132 0.72 HTR6 (0.67) HTR6ALDH1A1POLB
SCHEMBL1590451 0.72 HTR6 (0.67) HTR6ALDH1A1POLB
Hydrochloric Acid SCHEMBL1590423 0.69 HTR6 (0.45) HTR6ALDH1A1KDM4EMAPK1
SCHEMBL1590682 0.69 HTR6 (0.63) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092540-A1 SUBSTITUTED N-PHENYL-2,3-DIHYDROIMIDAZO[2,1-B]THIAZOLE-5-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-04-21 US claimed

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-20110092540-A1 SUBSTITUTED N-PHENYL-2,3-DIHYDROIMIDAZO[2,1-B]THIAZOLE-5-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS HTR6, HTR2A, HTR4 HTR6 1/4885ALDH1A1 1172/4885KDM4E 4380/4885

“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.