SCHEMBL4152732

SCHEMBL4152732

COc1ccccc1-c1nc(C)c(-c2ccco2)c(=O)n1CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.54
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
USP2 O75604 2/20 0.54
MAPK1 P28482 2/20 0.54
HSD17B10 Q99714 2/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
CASR P41180 9/20 0.53
KDM4E B2RXH2 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NR1I2 O75469 5/20 0.45
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL4151045 0.85 CASR (0.69) CASRNR1I2
SCHEMBL4149936 0.81 CASR (0.69) CASRNR1I2
SCHEMBL13851597 0.81 CASR (0.58) TP53USP2TSHRCASRNPSR1
SCHEMBL4144024 0.81 TP53 (0.55) TP53USP2TSHRCASRNPSR1
SCHEMBL3381858 0.80 CASR (0.72) TP53USP2TSHRCASRKDM4E
SCHEMBL4150952 0.80 TP53 (0.52) TP53SMN1; SMN2USP2MAPK1HSD17B10
SCHEMBL4140230 0.79 TP53 (0.49) TP53USP2HSD17B10TSHRCASR
SCHEMBL4138583 0.78 CASR (0.56) TP53CASRNR1I2
SCHEMBL4141856 0.78 CASR (0.60) TP53USP2TSHRCASRKDM4E
SCHEMBL5800196 0.77 CASR (0.69) TP53LMNASMN1; SMN2USP2MAPK1

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-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 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-20090137557-A1 Calcilytic Compounds CALCR, SOST, CALCB TP53 3696/4885LMNA 1316/4885SMN1; SMN2 4164/4885

“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.