SCHEMBL204672

SCHEMBL204672

CNCc1cccc(-c2nc3cccc(C(N)=O)c3o2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.49
VSIR Q9H7M9 7/20 0.47
PARP1 P09874 5/20 0.47
ESR1 P03372 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
MAPK10 P53779 1/20 0.44
ESR2 Q92731 1/20 0.44
CYP2C9 P11712 1/20 0.43
PARP2 Q9UGN5 3/20 0.43
PRMT6 Q96LA8 1/20 0.41
PARP3 Q9Y6F1 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
HTR3A P46098 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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) DHODHPARP1ESR1KMT2AMAPT
SCHEMBL205361 0.88 CETP (0.50) DHODHVSIRESR1KMT2AMAPT
SCHEMBL206075 0.84 VSIR (0.63) DHODHVSIRPARP1ESR1KMT2A
SCHEMBL205516 0.84 PARP1 (0.54) DHODHVSIRPARP1ESR1KMT2A
SCHEMBL205229 0.80 DHODH (0.52) DHODHPARP1ESR1KMT2AMAPT
SCHEMBL206588 0.79 PARP1 (0.57) DHODHPARP1ESR1ESR2CYP2C9
SCHEMBL204887 0.79 DHODH (0.76) DHODHPARP1ESR1ESR2MTNR1A
SCHEMBL205070 0.77 PARP1 (0.49) PARP1
SCHEMBL16495358 0.76 DHODH (0.81) DHODHPARP1ESR1ESR2MTNR1A
SCHEMBL205898 0.76 DHODH (0.51) DHODHPARP1ESR1KMT2AMAPT

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 4 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
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 2441/4885VSIR 4163/4885PARP1 1/4885

“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.