SCHEMBL3522563

SCHEMBL3522563

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 2/20 0.48
XBP1 P17861 1/20 0.48
NPC1 O15118 1/20 0.46
TRPM8 Q7Z2W7 5/20 0.45
EPHX2 P34913 5/20 0.43
TRPV1 Q8NER1 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL3520643 0.75 ALDH1A1 (0.48) MEN1KMT2AMAPTPOLB
SCHEMBL3523595 0.72 ALDH1A1 (0.42) MEN1KMT2APOLBHPGD
SCHEMBL3523394 0.70 SMN1; SMN2 (0.52) MEN1KMT2AMAPTTDP1POLB
SCHEMBL3525261 0.69 P2RX4 (0.42) MEN1KMT2APOLBHPGDCYP2C19
SCHEMBL3518228 0.68 CYP3A4 (0.45) CYP2C19
SCHEMBL3527717 0.68 KDR (0.45) MEN1KMT2AMAPTXBP1TRPV1
SCHEMBL11372972 0.68 RAB9A (0.57) MEN1KMT2AMAPTXBP1NPC1
SCHEMBL6003943 0.65 TP53 (0.53) MEN1KMT2AMAPTXBP1NPC1
SCHEMBL12655774 0.63 ACHE (0.75) MAPTEPHX2
SCHEMBL1945608 0.63 EPHX2 (0.67) MEN1KMT2AMAPTXBP1EPHX2

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 MEN1 3915/4885KMT2A 3940/4885MAPT 2576/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MEN1 4074/4885KMT2A 4243/4885MAPT 3038/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MEN1 3915/4885KMT2A 3940/4885MAPT 2576/4885

“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.