SCHEMBL4147482

SCHEMBL4147482

Cc1nc(-c2cccc(O)c2)n(CCc2ccccc2)c(=O)c1Br

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASR P41180 13/20 0.69
HDAC1 Q13547 6/20 0.49
HDAC8 Q9BY41 6/20 0.49
HDAC6 Q9UBN7 6/20 0.49
NR1I2 O75469 3/20 0.48
GFER P55789 1/20 0.44

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
SCHEMBL4144633 0.88 CASR (0.71) CASRHDAC1HDAC8HDAC6NR1I2
SCHEMBL4138763 0.88 CASR (0.63) CASRHDAC1HDAC8HDAC6NR1I2
SCHEMBL14535968 0.86 CASR (0.69) CASRHDAC1HDAC8HDAC6NR1I2
SCHEMBL4140148 0.84 CASR (0.49) CASRHDAC1HDAC8HDAC6
SCHEMBL4139279 0.83 CASR (0.64) CASRHDAC1HDAC8HDAC6NR1I2
SCHEMBL5098015 0.82 CASR (0.57) CASRHDAC1HDAC8HDAC6NR1I2
SCHEMBL5746615 0.81 CASR (1.00) CASRGFER
SCHEMBL4151289 0.80 CASR (0.82) CASRNR1I2
SCHEMBL4143340 0.78 CASR (0.76) CASRNR1I2
SCHEMBL4161402 0.78 CASR (0.67) CASRNR1I2

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
CN-101360498-A Calcilytic compounds SMITHKLINE BEECHAM CORP (US) 2009-02-04 CN 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 CASR 12/4885HDAC1 4096/4885HDAC8 3700/4885

“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.