SCHEMBL4143352

SCHEMBL4143352

COc1cccc(-c2nc(C)cc(=O)n2CCc2ccccc2)c1F

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASR P41180 12/20 0.64
TP53 P04637 1/20 0.45
NR1I2 O75469 1/20 0.43
PARK7 Q99497 1/20 0.43
GNRHR P30968 1/20 0.42
ALDH1A1 P00352 4/20 0.42
BACE1 P56817 1/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 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
SCHEMBL4151611 0.90 CASR (0.70) CASRTP53ALDH1A1POLBSMN1; SMN2
SCHEMBL4145041 0.85 CASR (0.64) CASRNR1I2ALDH1A1
SCHEMBL4143491 0.81 CASR (0.67) CASRTP53ALDH1A1
SCHEMBL4135141 0.81 CASR (0.53) CASRTP53NR1I2GNRHR
SCHEMBL4138583 0.81 CASR (0.56) CASRTP53NR1I2GNRHR
SCHEMBL4147460 0.80 CASR (0.73) CASRNR1I2
SCHEMBL4153036 0.79 CASR (0.61) CASRNR1I2ALDH1A1
SCHEMBL3380715 0.78 CASR (1.00) CASR
SCHEMBL4143693 0.78 CASR (0.55) CASRTP53NR1I2GNRHR
SCHEMBL27751196 0.77 CASR (0.72) CASRNR1I2KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 12/4885TP53 3696/4885NR1I2 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.