SCHEMBL4149042

SCHEMBL4149042

Cc1nc(-c2cccs2)n(CCc2ccccc2)c(=O)c1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CASR P41180 4/20 0.50
MEN1 O00255 8/20 0.48
KMT2A Q03164 8/20 0.48
CYP1A2 P05177 6/20 0.48
USP2 O75604 6/20 0.48
HSD17B10 Q99714 6/20 0.48
CASP1 P29466 4/20 0.48
CASP7 P55210 4/20 0.48
HIF1A Q16665 4/20 0.48
HBB P68871 1/20 0.48
CYP3A4 P08684 4/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
MAPK1 P28482 2/20 0.48
LMNA P02545 3/20 0.46
TSHR P16473 2/20 0.46
CYP2D6 P10635 2/20 0.46
RECQL P46063 2/20 0.46

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
SCHEMBL4138763 0.82 CASR (0.63) ALDH1A1SMN1; SMN2CASRMEN1KMT2A
SCHEMBL4148018 0.82 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CASRMEN1KMT2A
SCHEMBL28774534 0.81 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CASRMEN1KMT2A
SCHEMBL5773420 0.81 CASR (0.68) ALDH1A1SMN1; SMN2CASRMEN1KMT2A
SCHEMBL4148382 0.80 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2CASRMEN1KMT2A
SCHEMBL13851579 0.78 CASR (0.61) ALDH1A1SMN1; SMN2CASRMEN1KMT2A
SCHEMBL4151289 0.77 CASR (0.82) CASRNR1I2
SCHEMBL4151534 0.77 CASR (0.69) CASRNR1I2
SCHEMBL27730770 0.76 CASR (0.59) CASRMEN1KMT2ALMNATSHR
SCHEMBL4144983 0.76 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2CASRMEN1KMT2A

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 7 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
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
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 ALDH1A1 4674/4885SMN1; SMN2 4164/4885CASR 12/4885

“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.