SCHEMBL4918690

SCHEMBL4918690

CCCc1[nH]c(C)c(-c2ccc(C#N)cc2)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AR P10275 5/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PDE9A O76083 1/20 0.39
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
CYP2A6 P11509 2/20 0.36
CYP11B2 P19099 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
DHODH Q02127 1/20 0.35
SLC11A2 P49281 1/20 0.34

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
SCHEMBL4910488 0.88 AR (0.43) TSHRHSD17B10ARALDH1A1MAPT
SCHEMBL4910473 0.84 KMT2A (0.44) MEN1KMT2AARALDH1A1MAPT
SCHEMBL4914036 0.82 ALDH1A1 (0.40) MEN1KMT2AHSD17B10ARALDH1A1
SCHEMBL4917878 0.81 AR (0.40) MEN1KMT2ATSHRARALDH1A1
SCHEMBL4911667 0.81 AR (0.40) MEN1KMT2AHSD17B10ARALDH1A1
SCHEMBL4913823 0.80 AR (0.39) KMT2AARALDH1A1MAPTPDE9A
SCHEMBL4918452 0.80 GRIA2 (0.42) MEN1KMT2ATSHRHSD17B10AR
SCHEMBL4909930 0.79 AR (0.44) ARALDH1A1MAPTPDE9AGRIA2
SCHEMBL4922378 0.79 AR (0.43) TSHRHSD17B10ARALDH1A1MAPT
SCHEMBL6466743 0.75 CYP2A6 (0.44) TSHRHSD17B10ARALDH1A1MAPT

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 MEN1 3602/4885KMT2A 1736/4885TSHR 165/4885

“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.