SCHEMBL4148018

SCHEMBL4148018

Cc1nc(-c2cccs2)n(CCc2ccccc2)c(=O)c1CC(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CASR P41180 4/20 0.49
KDM4E B2RXH2 6/20 0.46
LMNA P02545 4/20 0.46
HPGD P15428 4/20 0.46
MEN1 O00255 9/20 0.46
KMT2A Q03164 9/20 0.46
CYP1A2 P05177 6/20 0.46
HSD17B10 Q99714 6/20 0.46
CASP1 P29466 5/20 0.46
CASP7 P55210 5/20 0.46
USP2 O75604 5/20 0.46
HIF1A Q16665 4/20 0.46
HBB P68871 1/20 0.46
NR1I2 O75469 1/20 0.45
CYP3A4 P08684 4/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
MAPK1 P28482 2/20 0.45

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
SCHEMBL4148382 0.83 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2CASRKDM4ELMNA
SCHEMBL4149042 0.82 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2CASRKDM4ELMNA
SCHEMBL4144073 0.79 CASR (0.50) ALDH1A1CASRLMNAMEN1KMT2A
SCHEMBL2833039 0.79 CASR (0.78) CASRNR1I2
SCHEMBL4154201 0.78 CASR (0.62) ALDH1A1SMN1; SMN2CASRKDM4ELMNA
SCHEMBL4149925 0.78 CASR (0.49) ALDH1A1CASRLMNAMEN1KMT2A
SCHEMBL28774534 0.77 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CASRKDM4ELMNA
SCHEMBL5773420 0.77 CASR (0.68) ALDH1A1SMN1; SMN2CASRKDM4ELMNA
SCHEMBL4139279 0.77 CASR (0.64) CASRLMNAMEN1KMT2ANR1I2
SCHEMBL4138988 0.77 CASR (0.47) ALDH1A1CASRLMNAMEN1KMT2A

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 10 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
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.