SCHEMBL3524860

SCHEMBL3524860

Cc1nc(O)c(Cc2ccccc2)c(=O)n1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 1/20 0.49
HPGD P15428 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 2/20 0.48
TNF P01375 1/20 0.48
KDM4E B2RXH2 2/20 0.47
CYP3A4 P08684 1/20 0.46
IDH1 O75874 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
HSD17B10 Q99714 1/20 0.45
NR1I2 O75469 1/20 0.45
CASR P41180 1/20 0.45
BRD4 O60885 1/20 0.45
HTT P42858 2/20 0.44

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
SCHEMBL4473176 0.77 KMT2A (0.54) ALDH1A1MAPK1HPGDMEN1KMT2A
SCHEMBL27771399 0.74 PDE4A (0.46) ALDH1A1MAPK1
SCHEMBL28480430 0.74 LMNA (0.50) ALDH1A1MEN1KMT2APOLBIDH1
SCHEMBL662608 0.73 PDE4A (0.43) HPGDKDM4ESMN1; SMN2LMNAHTT
SCHEMBL17917621 0.73 HPGD (0.53) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL3521617 0.73 ALDH1A1 (0.51) ALDH1A1MAPK1HPGDMEN1KMT2A
SCHEMBL5483849 0.72 SMN1; SMN2 (0.48) CYP2C9CYP2C19GAAALDH1A1HPGD
SCHEMBL3115397 0.72 ALDH1A1 (0.50) CYP2C9CYP2C19ALDH1A1MAPK1HPGD
SCHEMBL17066148 0.70 ALDH1A1 (0.55) ALDH1A1MAPK1HPGDMEN1KMT2A
SCHEMBL6587073 0.70 KDM4E (0.55) GAAALDH1A1HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795271-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2010-09-14 US disclosed
US-20090306108-A1 SUBSTITUTED PYRIMIDINONES PFIZER INC 2009-12-10 US disclosed
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES PHARMACIA CORPORATION (US) 2007-07-19 US disclosed
US-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 US disclosed
US-20040242608-A1 Substituted pyrimidinones PHARMACIA LLC 2004-12-02 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 (3 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-20090306108-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 CYP2C9 1551/4885CYP2C19 1305/4885GAA 1386/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 CYP2C9 1704/4885CYP2C19 1392/4885GAA 1288/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 CYP2C9 1551/4885CYP2C19 1305/4885GAA 1386/4885

“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.