SCHEMBL204513

SCHEMBL204513

NC(=O)c1cccc2nc(-c3ccc(-c4cccnc4)cc3)oc12

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.62
PARP1 P09874 1/20 0.52
PARP2 Q9UGN5 1/20 0.52
MKNK1 Q9BUB5 9/20 0.51
MKNK2 Q9HBH9 9/20 0.51
IKBKB O14920 1/20 0.50
HDAC6 Q9UBN7 1/20 0.49
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
F2 P00734 1/20 0.48
PKN1 Q16512 1/20 0.46
PKN2 Q16513 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ELANE P08246 1/20 0.44
SYK P43405 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
SCHEMBL205134 0.94 IKBKB (0.56) DHODHPARP1PARP2MKNK1MKNK2
SCHEMBL205583 0.92 MKNK1 (0.51) DHODHPARP1PARP2MKNK1MKNK2
SCHEMBL205922 0.87 DHODH (0.64) DHODHPARP1PARP2MKNK2IKBKB
SCHEMBL16495358 0.87 DHODH (0.81) DHODHPARP1IKBKBESR1ESR2
SCHEMBL205921 0.85 DHODH (0.58) DHODHHDAC6ESR2F2MEN1
SCHEMBL205559 0.84 DHODH (0.59) DHODHPARP1PARP2MKNK2HDAC6
SCHEMBL204887 0.84 DHODH (0.76) DHODHPARP1IKBKBESR1ESR2
SCHEMBL16495294 0.81 DHODH (0.64) DHODHPARP1MKNK2IKBKBESR1
SCHEMBL205308 0.81 DHODH (0.56) DHODHPARP1PARP2MKNK2IKBKB
SCHEMBL3703337 0.81 DHODH (0.62) DHODHHDAC6ESR1ESR2ALDH1A1

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 8 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-20110293744-A1 BENZOXAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2011-12-01 US claimed
WO-2010083220-A1 BENZOXAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2010-07-22 WO 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-20110293744-A1 BENZOXAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2011-12-01 US disclosed
WO-2010083220-A1 BENZOXAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2010-07-22 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 (2 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-20110293744-A1 BENZOXAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 DHODH 734/4885PARP1 1/4885PARP2 2/4885
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 DHODH 2441/4885PARP1 1/4885PARP2 2/4885

“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.