SCHEMBL3524480

SCHEMBL3524480

O=C(NCc1cccc(C(F)(F)F)c1)N1C=CC(=O)N(Cc2c(Cl)cccc2Cl)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 3/20 0.47
ATG4B Q9Y4P1 2/20 0.47
PKM P14618 1/20 0.47
LMNA P02545 3/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
MLYCD O95822 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
P2RX7 Q99572 1/20 0.41
S1PR1 P21453 1/20 0.40
GRK5 P34947 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
SCHEMBL3523595 0.86 ALDH1A1 (0.42) LMNAHPGDMEN1KMT2AP2RX7
SCHEMBL3525199 0.85 KDR (0.45) LMNAMEN1KMT2AGAARAB9A
SCHEMBL3523394 0.76 SMN1; SMN2 (0.52) PKMLMNAMEN1KMT2AGAA
SCHEMBL3525261 0.73 P2RX4 (0.42) LMNAHPGDMEN1KMT2ACYP3A4
SCHEMBL3520643 0.73 ALDH1A1 (0.48) PKMLMNAMEN1KMT2AGAA
SCHEMBL3524680 0.72 CACNA1G (0.42) PKMLMNAHPGDMEN1KMT2A
SCHEMBL3522563 0.72 MEN1 (0.48) HPGDMEN1KMT2ACYP2C19TDP1
SCHEMBL3525054 0.72 MEN1 (0.43) LMNAHPGDMEN1KMT2A
SCHEMBL3527717 0.71 KDR (0.45) LMNAMEN1KMT2AGAARAB9A
SCHEMBL4470067 0.71 GAA (0.59) PLA2G1BATG4BLMNAHPGDMEN1

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 PLA2G1B 1919/4885ATG4B 3209/4885PKM 994/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 PLA2G1B 2478/4885ATG4B 3131/4885PKM 1090/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 PLA2G1B 1919/4885ATG4B 3209/4885PKM 994/4885

“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.