SCHEMBL3522387

SCHEMBL3522387

CC(=O)NC(Cn1cnc(OCc2ccccc2)cc1=O)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.48
ACACB O00763 4/20 0.43
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
ACACA Q13085 1/20 0.39
PKM P14618 1/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
MBTPS1 Q14703 1/20 0.38
MAPT P10636 1/20 0.38
S1PR1 P21453 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL3522390 1.00 TACR1 (0.48) TACR1ACACBMEN1ALDH1A1HPGD
SCHEMBL3520255 0.94 ACACB (0.43) TACR1ACACBMEN1ALDH1A1HPGD
SCHEMBL3520253 0.94 ACACB (0.43) TACR1ACACBMEN1ALDH1A1HPGD
SCHEMBL3525313 0.91 TYR (0.45) TACR1ITGB3ITGAV
SCHEMBL3525311 0.91 TYR (0.45) TACR1ITGB3ITGAV
SCHEMBL4479237 0.82 MAPK14 (0.55) TACR1ACACB
SCHEMBL4479241 0.82 MAPK14 (0.55) TACR1ACACB
SCHEMBL3521688 0.77 PKM (0.47) ALDH1A1HPGDPKMNPC1TP53
SCHEMBL4470531 0.76 MAPK14 (0.55) ACACB
SCHEMBL4470529 0.76 MAPK14 (0.55) ACACB

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 TACR1 1023/4885ACACB 3854/4885MEN1 3915/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 TACR1 1323/4885ACACB 3747/4885MEN1 4074/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 TACR1 1023/4885ACACB 3854/4885MEN1 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.