SCHEMBL205898

SCHEMBL205898

CONCc1ccc(-c2nc3cccc(C(N)=O)c3o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.51
CETP P11597 2/20 0.46
ESR1 P03372 3/20 0.46
ESR2 Q92731 3/20 0.46
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HSD17B10 Q99714 3/20 0.44
MAPT P10636 3/20 0.43
MAPK10 P53779 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR3A P46098 4/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
PARP1 P09874 1/20 0.40
CD38 P28907 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL206340 0.90 CETP (0.56) DHODHCETPESR1ESR2HPGD
SCHEMBL205115 0.87 DHODH (0.54) DHODHCETPESR1ESR2HPGD
SCHEMBL207416 0.84 PARP1 (0.53) CETPESR1ESR2HPGDSMN1; SMN2
SCHEMBL205426 0.81 DHODH (0.50) DHODHCETPESR1ESR2HPGD
SCHEMBL205229 0.81 DHODH (0.52) DHODHCETPESR1ESR2HPGD
SCHEMBL206779 0.81 DHODH (0.54) DHODHCETPESR1ESR2HPGD
SCHEMBL206427 0.80 CETP (0.56) DHODHCETPESR1ESR2HPGD
SCHEMBL24871288 0.79 CETP (0.58) DHODHCETPESR1ESR2HPGD
SCHEMBL205968 0.79 DHODH (0.52) DHODHCETPESR1ESR2HPGD
SCHEMBL16495358 0.78 DHODH (0.81) DHODHCETPESR1ESR2HSD17B10

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 6 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 claimed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 US claimed
US-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP disclosed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO 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 2441/4885CETP 2602/4885ESR1 2161/4885

“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.