SCHEMBL207994

SCHEMBL207994

CN(CCc1ccc(-c2nc3cccc(C(N)=O)c3o2)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.47
ESR1 P03372 3/20 0.41
ESR2 Q92731 2/20 0.41
LTB4R Q15722 4/20 0.38
LTB4R2 Q9NPC1 4/20 0.38
MTNR1A P48039 4/20 0.38
MTNR1B P49286 4/20 0.38
CETP P11597 1/20 0.38
PARP1 P09874 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ABCC1 P33527 1/20 0.37
MAPT P10636 1/20 0.37
MAPK10 P53779 1/20 0.37
KMT2A Q03164 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
SCHEMBL205413 0.91 DHODH (0.49) DHODHESR1ESR2MTNR1AMTNR1B
SCHEMBL206052 0.90 CETP (0.49) DHODHESR1ESR2LTB4RLTB4R2
SCHEMBL206155 0.84 DHODH (0.58) DHODHESR1ESR2MTNR1AMTNR1B
SCHEMBL205968 0.83 DHODH (0.52) DHODHESR1ESR2MTNR1AMTNR1B
SCHEMBL206779 0.77 DHODH (0.54) DHODHESR1ESR2MTNR1AMTNR1B
SCHEMBL206237 0.76 TOP2A (0.45) PARP1ABCC1
SCHEMBL205426 0.76 DHODH (0.50) DHODHESR1ESR2MTNR1AMTNR1B
SCHEMBL16495358 0.75 DHODH (0.81) DHODHESR1ESR2MTNR1AMTNR1B
SCHEMBL205229 0.75 DHODH (0.52) DHODHESR1ESR2MTNR1AMTNR1B
SCHEMBL204887 0.75 DHODH (0.76) DHODHESR1ESR2MTNR1AMTNR1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 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 (1 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-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 DHODH 2441/4885ESR1 2161/4885ESR2 1492/4885

“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.