SCHEMBL5445781

SCHEMBL5445781

CCCCCCn1c(C)nc(-c2ccccc2O)c(CCc2ccccc2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASR P41180 12/20 0.53
KDM4E B2RXH2 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
CNOT7 Q9UIV1 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NR1I2 O75469 1/20 0.42
GFER P55789 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
SCHEMBL5436730 1.00 CASR (0.53) CASRKDM4EHTTSMN1; SMN2LMNA
SCHEMBL5444290 1.00 CASR (0.53) CASRKDM4EHTTSMN1; SMN2LMNA
SCHEMBL5441128 0.99 CASR (0.53) CASRKDM4EHTTSMN1; SMN2LMNA
SCHEMBL5438968 0.96 CASR (0.54) CASRKDM4EHTTSMN1; SMN2LMNA
SCHEMBL5443930 0.91 CASR (0.56) CASRKDM4ELMNAHPGDMEN1
SCHEMBL5435362 0.88 CASR (0.55) CASRKDM4EHTTSMN1; SMN2LMNA
SCHEMBL5436815 0.88 CASR (0.55) CASRKDM4EHTTSMN1; SMN2LMNA
SCHEMBL5443722 0.87 CASR (0.56) CASRMEN1KMT2ANR1I2GFER
SCHEMBL5436407 0.84 CASR (0.51) CASRTP53MEN1KMT2ANR1I2
SCHEMBL5441088 0.82 CASR (0.52) CASRKDM4ESMN1; SMN2TP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070270446-A1 Reversed Pyrimidinone Compounds as Calcilytics SMITHKLINE BEECHAM CORPORATION (US) 2007-11-22 US claimed
EP-1809611-A1 REVERSED PYRIMIDINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-07-25 EP claimed
WO-2006041968-A1 REVERSED PYRIMIDINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2006-04-20 WO claimed
US-20070270446-A1 Reversed Pyrimidinone Compounds as Calcilytics SMITHKLINE BEECHAM CORPORATION (US) 2007-11-22 US disclosed
US-20070270446-A1 Reversed Pyrimidinone Compounds as Calcilytics SMITHKLINE BEECHAM CORPORATION (US) 2007-11-22 US disclosed
US-20070270446-A1 Reversed Pyrimidinone Compounds as Calcilytics SMITHKLINE BEECHAM CORPORATION (US) 2007-11-22 US disclosed
EP-1809611-A1 REVERSED PYRIMIDINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-07-25 EP disclosed
WO-2006041968-A1 REVERSED PYRIMIDINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2006-04-20 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-20070270446-A1 Reversed Pyrimidinone Compounds as Calcilytics PTMS, CALCR, TYMP CASR 60/4885KDM4E 3442/4885HTT 3749/4885

“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.