SCHEMBL4917878

SCHEMBL4917878

CSCc1[nH]c(C)c(-c2ccc(C#N)cc2)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.40
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
GRIA2 P42262 1/20 0.34
GRIA4 P48058 1/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP2A6 P11509 1/20 0.34
RECQL P46063 2/20 0.34
DHODH Q02127 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SLC11A2 P49281 1/20 0.34
PDE9A O76083 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL14154902 0.87 KDM4E (0.35) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL4910488 0.84 AR (0.43) ARFNTAFNTBGRIA2GRIA4
SCHEMBL4910473 0.82 KMT2A (0.44) ARFNTAFNTBGRIA2GRIA4
SCHEMBL4918690 0.81 MEN1 (0.43) ARFNTAFNTBGRIA2GRIA4
SCHEMBL4911667 0.80 AR (0.40) ARFNTAFNTBGRIA2GRIA4
SCHEMBL4913823 0.79 AR (0.39) ARFNTAFNTBGRIA2GRIA4
SCHEMBL4909930 0.78 AR (0.44) ARFNTAFNTBGRIA2GRIA4
SCHEMBL4914036 0.78 ALDH1A1 (0.40) ARFNTAFNTBGRIA2GRIA4
SCHEMBL2741353 0.78 AR (0.40) ARFNTAFNTBGRIA2GRIA4
SCHEMBL4922378 0.75 AR (0.43) ARFNTAFNTBGRIA2GRIA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 US disclosed
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 US disclosed
EP-1824841-A1 SUBSTITUTED PYRROLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-08-29 EP disclosed
WO-2006064944-A1 SUBSTITUTED PYRROLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 WO 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-20080176906-A1 Substituted Pyrrole Derivative AR, NR5A1, MC2R AR 1/4885FNTA 4295/4885FNTB 4695/4885

“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.