SCHEMBL3525799

SCHEMBL3525799

O=C(Nc1ccc(F)cc1F)N1C=CC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
TP53 P04637 1/20 0.48
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
EEF2K O00418 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
LMNA P02545 1/20 0.40
LIPG Q9Y5X9 2/20 0.39
CCR2 P41597 2/20 0.39
POLB P06746 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 0.85 ALDH1A1 (0.48) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL3523577 0.72 ALDH1A1 (0.49) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL3522393 0.67 AKR1C3 (0.48) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL30986310 0.61 RAB9A (0.59) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL263278 0.61 RAB9A (0.59) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL3523595 0.61 ALDH1A1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL30008791 0.61 EEF2K (0.69) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL12477049 0.61 SMN1; SMN2 (0.64) MAPTTP53ALDH1A1EEF2KSMN1; SMN2
SCHEMBL30008966 0.60 THRB (0.69) MAPTTP53KMT2AALDH1A1EEF2K
SCHEMBL9836305 0.59 HTT (0.61) MAPTALDH1A1SMN1; SMN2HTTTAS1R3

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 MAPT 2576/4885TP53 867/4885MEN1 3915/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPT 3038/4885TP53 1755/4885MEN1 4074/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPT 2576/4885TP53 867/4885MEN1 3915/4885

“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.