SCHEMBL3524680

SCHEMBL3524680

O=C(Nc1ccc(Cl)cc1)N1C=CC(=O)N(Cc2c(Cl)cccc2Cl)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.42
CNR1 P21554 1/20 0.41
KDM4E B2RXH2 6/20 0.40
MAPT P10636 3/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 5/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
FAAH O00519 1/20 0.38
ALOX5 P09917 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL3522563 0.86 MEN1 (0.48) MAPTHPGDCYP2C9CYP2C19MEN1
SCHEMBL3520643 0.80 ALDH1A1 (0.48) KDM4EMAPTTAS1R3TAS1R1TAS1R2
SCHEMBL3523595 0.79 ALDH1A1 (0.42) CACNA1GNPSR1SMN1; SMN2HPGDLMNA
SCHEMBL3526563 0.77 MEN1 (0.41) KDM4EMAPTSMN1; SMN2PKMALDH1A1
SCHEMBL3525261 0.75 P2RX4 (0.42) HPGDLMNAALDH1A1CYP3A4CYP2C19
SCHEMBL3518228 0.74 CYP3A4 (0.45) CNR1SMN1; SMN2LMNAALDH1A1CYP3A4
SCHEMBL3524480 0.72 PLA2G1B (0.47) HPGDLMNAPKMCYP3A4CYP2C19
SCHEMBL3523394 0.70 SMN1; SMN2 (0.52) KDM4EMAPTNPSR1SMN1; SMN2LMNA
SCHEMBL3527717 0.68 KDR (0.45) MAPTNPSR1SMN1; SMN2LMNAALDH1A1
SCHEMBL3523577 0.66 ALDH1A1 (0.49) CACNA1GKDM4EMAPTTAS1R3TAS1R1

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 CACNA1G 4712/4885CNR1 1195/4885KDM4E 3806/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 CACNA1G 4481/4885CNR1 1260/4885KDM4E 3935/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 CACNA1G 4712/4885CNR1 1195/4885KDM4E 3806/4885

“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.