SCHEMBL5441128

SCHEMBL5441128

CCCCCn1c(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 3/20 0.45
HTT P42858 2/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NR1I2 O75469 1/20 0.42
GFER P55789 1/20 0.42
CNOT7 Q9UIV1 3/20 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
SCHEMBL5445781 0.99 CASR (0.53) CASRKDM4EHTTHPGDLMNA
SCHEMBL5436730 0.99 CASR (0.53) CASRKDM4EHTTHPGDLMNA
SCHEMBL5444290 0.99 CASR (0.53) CASRKDM4EHTTHPGDLMNA
SCHEMBL5438968 0.97 CASR (0.54) CASRKDM4EHTTHPGDLMNA
SCHEMBL5443930 0.92 CASR (0.56) CASRKDM4EHPGDLMNAMEN1
SCHEMBL5443722 0.88 CASR (0.56) CASRMEN1KMT2ANR1I2GFER
SCHEMBL5436815 0.87 CASR (0.55) CASRKDM4EHTTHPGDLMNA
SCHEMBL5435362 0.87 CASR (0.55) CASRKDM4EHTTHPGDLMNA
SCHEMBL5436407 0.85 CASR (0.51) CASRTP53MEN1KMT2ANR1I2
SCHEMBL5441088 0.83 CASR (0.52) CASRKDM4EHPGDTP53SMN1; SMN2

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-20070270446-A1 Reversed Pyrimidinone Compounds as Calcilytics SMITHKLINE BEECHAM CORPORATION (US) 2007-11-22 US 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.