SCHEMBL205229

SCHEMBL205229

CNCCc1ccc(-c2nc3cccc(C(N)=O)c3o2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.52
PARP1 P09874 3/20 0.49
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
MTNR1A P48039 6/20 0.45
MTNR1B P49286 6/20 0.45
HTR3A P46098 4/20 0.42
CETP P11597 2/20 0.42
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.39
MAPK10 P53779 1/20 0.39
KMT2A Q03164 1/20 0.39
PARP2 Q9UGN5 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
SCHEMBL205115 0.88 DHODH (0.54) DHODHPARP1ESR1ESR2MTNR1A
SCHEMBL205968 0.84 DHODH (0.52) DHODHPARP1ESR1ESR2MTNR1A
SCHEMBL206779 0.81 DHODH (0.54) DHODHPARP1ESR1ESR2MTNR1A
SCHEMBL205898 0.81 DHODH (0.51) DHODHPARP1ESR1ESR2MTNR1A
SCHEMBL204672 0.80 DHODH (0.49) DHODHPARP1ESR1ESR2MTNR1A
SCHEMBL16495358 0.79 DHODH (0.81) DHODHPARP1ESR1ESR2MTNR1A
SCHEMBL204887 0.79 DHODH (0.76) DHODHPARP1ESR1ESR2MTNR1A
SCHEMBL3703337 0.78 DHODH (0.62) DHODHESR1ESR2HTR3ACETP
SCHEMBL205426 0.78 DHODH (0.50) DHODHPARP1ESR1ESR2MTNR1A
SCHEMBL205922 0.77 DHODH (0.64) DHODHPARP1ESR1ESR2HTR3A

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 2441/4885PARP1 1/4885ESR1 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.