SCHEMBL4135976

SCHEMBL4135976

O=c1c2c(nc(-c3ccco3)n1CCc1cccc(F)c1)CCCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 10/20 0.49
SMN1; SMN2 Q16637 5/20 0.46
LMNA P02545 4/20 0.46
USP2 O75604 2/20 0.46
MAPK1 P28482 2/20 0.46
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 1/20 0.42
PRNP P04156 1/20 0.41
ALDH1A1 P00352 3/20 0.39
PKM P14618 2/20 0.39
SLC6A3 Q01959 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL4143698 0.80 CASR (0.43) CASRSMN1; SMN2LMNATSHRTP53
SCHEMBL3382035 0.80 CASR (0.67) CASR
SCHEMBL4151855 0.80 CASR (0.53) CASRHPGD
SCHEMBL4145211 0.79 CASR (0.52) CASRHPGD
SCHEMBL3380694 0.78 CASR (0.67) CASR
SCHEMBL4147968 0.70 CASR (0.63) CASR
SCHEMBL4143967 0.69 CASR (0.66) CASR
SCHEMBL4158468 0.69 CASR (0.53) CASR
SCHEMBL4139273 0.68 CASR (0.48) CASRUSP2TSHRALDH1A1
SCHEMBL3384744 0.68 CASR (0.63) CASRTSHRHSD17B10KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US claimed
EP-1951244-A2 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP claimed
WO-2007062370-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 WO claimed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
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
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 CASR 12/4885SMN1; SMN2 4164/4885LMNA 1316/4885

“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.