SCHEMBL4140230

SCHEMBL4140230

COc1ccccc1-c1nc(C)c(-c2cccnc2)c(=O)n1CCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.49
CASR P41180 11/20 0.48
NR1I2 O75469 5/20 0.48
USP2 O75604 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 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
SCHEMBL4139361 0.86 CASR (0.67) CASRNR1I2
SCHEMBL4138583 0.82 CASR (0.56) TP53CASRNR1I2
SCHEMBL13851597 0.80 CASR (0.58) TP53CASRNR1I2USP2ALDH1A1
SCHEMBL4144024 0.80 TP53 (0.55) TP53CASRNR1I2USP2ALDH1A1
SCHEMBL3381858 0.79 CASR (0.72) TP53CASRNR1I2USP2ALDH1A1
SCHEMBL4150952 0.79 TP53 (0.52) TP53CASRNR1I2USP2ALDH1A1
SCHEMBL4152732 0.79 TP53 (0.54) TP53CASRNR1I2USP2ALDH1A1
SCHEMBL4141856 0.77 CASR (0.60) TP53CASRNR1I2USP2ALDH1A1
SCHEMBL5800196 0.76 CASR (0.69) TP53CASRUSP2ALDH1A1TSHR
SCHEMBL12884883 0.76 CASR (0.53) TP53CASRUSP2ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
EP-1951244-A2 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP disclosed
WO-2007062370-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 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-20090137557-A1 Calcilytic Compounds CALCR, SOST, CALCB TP53 3696/4885CASR 12/4885NR1I2 3373/4885

“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.