SCHEMBL3523595

SCHEMBL3523595

O=C(NCc1ccccc1)N1C=CC(=O)N(Cc2c(Cl)cccc2Cl)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
CACNA1G O43497 4/20 0.40
CACNA1H O95180 4/20 0.40
CACNA1I Q9P0X4 4/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
P2RX7 Q99572 1/20 0.39
P2RX4 Q99571 1/20 0.38

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
SCHEMBL3524480 0.86 PLA2G1B (0.47) MEN1KMT2ALMNAHPGDP2RX7
SCHEMBL3525054 0.84 MEN1 (0.43) ALDH1A1L3MBTL1POLBMEN1KMT2A
SCHEMBL3525261 0.79 P2RX4 (0.42) ALDH1A1POLBMEN1KMT2ASIGMAR1
SCHEMBL3524680 0.79 CACNA1G (0.42) ALDH1A1MEN1KMT2ACACNA1GLMNA
SCHEMBL3518228 0.77 CYP3A4 (0.45) ALDH1A1LMNASMN1; SMN2HTR1A
SCHEMBL3520643 0.74 ALDH1A1 (0.48) ALDH1A1L3MBTL1POLBMEN1KMT2A
SCHEMBL3522563 0.72 MEN1 (0.48) POLBMEN1KMT2AHPGD
SCHEMBL3522165 0.71 ALDH1A1 (0.48) ALDH1A1L3MBTL1POLBMEN1KMT2A
SCHEMBL3523394 0.69 SMN1; SMN2 (0.52) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL3522227 0.68 GAA (0.53) ALDH1A1POLBMEN1KMT2ASMN1; 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 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 ALDH1A1 874/4885L3MBTL1 3378/4885POLB 1067/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 ALDH1A1 550/4885L3MBTL1 3456/4885POLB 726/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 ALDH1A1 874/4885L3MBTL1 3378/4885POLB 1067/4885

“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.