SCHEMBL5449155

SCHEMBL5449155

Cc1nc(-c2ccccc2O)c(CCc2ccccc2)c(=O)n1C1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 10/20 0.45
ALDH1A1 P00352 7/20 0.42
CYP1A2 P05177 7/20 0.42
CYP3A4 P08684 7/20 0.42
CYP2C9 P11712 7/20 0.42
CYP2C19 P33261 7/20 0.42
CYP2D6 P10635 5/20 0.42
CASP1 P29466 3/20 0.42
CASP7 P55210 3/20 0.42
TSHR P16473 3/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPK1 P28482 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
STAT3 P40763 1/20 0.42
USP2 O75604 3/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 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
SCHEMBL5439154 0.96 ALDH1A1 (0.48) CASRALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL5444100 0.96 ALDH1A1 (0.46) CASRALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL5435338 0.95 ALDH1A1 (0.50) CASRALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL5450352 0.85 CYP1A2 (0.47) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5445685 0.83 CASR (0.48) CASRMEN1KMT2ASMN1; SMN2TP53
SCHEMBL5441088 0.82 CASR (0.52) CASRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5443722 0.81 CASR (0.56) CASRCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL5444271 0.81 CASR (0.47) CASRTSHRSMN1; SMN2TP53MAPT
SCHEMBL5440726 0.81 CASR (0.47) CASRALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL5443930 0.79 CASR (0.56) CASRALDH1A1TSHRHSD17B10MEN1

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 4 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

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 60/4885ALDH1A1 3806/4885CYP1A2 4087/4885

“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.