SCHEMBL204887

SCHEMBL204887

NC(=O)c1cccc2nc(-c3ccccc3)oc12

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.76
ESR2 Q92731 2/20 0.55
ESR1 P03372 1/20 0.55
ELANE P08246 1/20 0.51
IKBKB O14920 1/20 0.51
HTR3A P46098 1/20 0.50
MTNR1A P48039 6/20 0.49
MTNR1B P49286 6/20 0.49
KDM4E B2RXH2 1/20 0.47
PPARG P37231 1/20 0.47
NCOA2 Q15596 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PARP1 P09874 3/20 0.46
ALDH1A1 P00352 1/20 0.45
BCAT2 O15382 1/20 0.45
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43

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
SCHEMBL16495358 0.97 DHODH (0.81) DHODHESR2ESR1ELANEIKBKB
SCHEMBL121400 0.89 DHODH (0.94) DHODHESR2ESR1ELANEHTR3A
SCHEMBL205559 0.88 DHODH (0.59) DHODHESR2ESR1HTR3AMTNR1A
SCHEMBL3703337 0.87 DHODH (0.62) DHODHESR2ESR1HTR3AKDM4E
SCHEMBL505539 0.86 DHODH (1.00) DHODHESR2ESR1ELANEHTR3A
SCHEMBL205922 0.86 DHODH (0.64) DHODHESR2ESR1IKBKBHTR3A
SCHEMBL16495294 0.85 DHODH (0.64) DHODHESR2ESR1IKBKBHTR3A
SCHEMBL16383807 0.85 DHODH (0.76) DHODHESR2ESR1ELANEHTR3A
SCHEMBL205134 0.85 IKBKB (0.56) DHODHESR2ESR1ELANEIKBKB
SCHEMBL204513 0.84 DHODH (0.62) DHODHESR2ESR1ELANEIKBKB

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 2441/4885ESR2 1492/4885ESR1 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.