SCHEMBL3523577

SCHEMBL3523577

O=C(Nc1ccc(F)cc1F)N1C=C(Cl)C(=O)N(Cc2c(Cl)cccc2Cl)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
EEF2K O00418 1/20 0.42
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 1/20 0.39
PKM P14618 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CACNA1G O43497 1/20 0.37

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 0.87 ALDH1A1 (0.48) ALDH1A1TAS1R3TAS1R1TAS1R2EEF2K
SCHEMBL3527717 0.77 KDR (0.45) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL3525054 0.74 MEN1 (0.43) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL3525799 0.72 MAPT (0.48) ALDH1A1TAS1R3TAS1R1TAS1R2EEF2K
SCHEMBL3524598 0.68 P2RX7 (0.47) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL3524680 0.66 CACNA1G (0.42) ALDH1A1TAS1R3TAS1R1TAS1R2MAPT
SCHEMBL15779461 0.65 MAPT (0.59) ALDH1A1TAS1R3TAS1R1TAS1R2MAPT
SCHEMBL3519752 0.64 KMT2A (0.39) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL3522563 0.63 MEN1 (0.48) MAPTKMT2AMEN1POLB
SCHEMBL7602852 0.61 GAA (0.60) ALDH1A1TAS1R3TAS1R1TAS1R2TP53

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 874/4885TAS1R3 2902/4885TAS1R1 1985/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 ALDH1A1 550/4885TAS1R3 3816/4885TAS1R1 2763/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 ALDH1A1 874/4885TAS1R3 2902/4885TAS1R1 1985/4885

“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.