SCHEMBL205134

SCHEMBL205134

NC(=O)c1cccc2nc(-c3cccnc3)oc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.56
DHODH Q02127 3/20 0.56
F2 P00734 1/20 0.54
HSD17B10 Q99714 3/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.52
ELANE P08246 1/20 0.50
PKN1 Q16512 1/20 0.49
PKN2 Q16513 1/20 0.49
KDM4E B2RXH2 4/20 0.46
PARP1 P09874 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
MKNK1 Q9BUB5 5/20 0.46
MKNK2 Q9HBH9 4/20 0.46
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
NPC1 O15118 2/20 0.44

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
SCHEMBL204513 0.94 DHODH (0.62) IKBKBDHODHF2HSD17B10KMT2A
SCHEMBL205583 0.93 MKNK1 (0.51) IKBKBDHODHF2HSD17B10KMT2A
SCHEMBL205559 0.85 DHODH (0.59) DHODHHSD17B10ALDH1A1PKN1PKN2
SCHEMBL204887 0.85 DHODH (0.76) IKBKBDHODHHSD17B10ALDH1A1ELANE
SCHEMBL205779 0.84 DHODH (0.52) DHODHF2HSD17B10KMT2AALDH1A1
SCHEMBL205922 0.83 DHODH (0.64) IKBKBDHODHHSD17B10ALDH1A1PKN1
SCHEMBL16495358 0.82 DHODH (0.81) IKBKBDHODHHSD17B10ELANEKDM4E
SCHEMBL205308 0.82 DHODH (0.56) IKBKBDHODHHSD17B10ALDH1A1PKN1
SCHEMBL8115978 0.79 ALDH1A1 (0.59) IKBKBDHODHF2HSD17B10KMT2A
SCHEMBL205783 0.79 IKBKB (0.56) IKBKBDHODHHSD17B10KMT2AALDH1A1

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 IKBKB 590/4885DHODH 2441/4885F2 633/4885

“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.