SCHEMBL3781416

SCHEMBL3781416

NC(=O)c1cccc2oc(-c3ccc(-c4cccnc4)cc3)nc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.58
DHODH Q02127 1/20 0.58
PARP2 Q9UGN5 1/20 0.58
PKN1 Q16512 1/20 0.52
PKN2 Q16513 1/20 0.52
MKNK1 Q9BUB5 10/20 0.51
MKNK2 Q9HBH9 10/20 0.51
IKBKB O14920 1/20 0.50
HDAC6 Q9UBN7 1/20 0.49
TOP2A P11388 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PIM1 P11309 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL205783 0.94 IKBKB (0.56) PARP1DHODHPARP2PKN1PKN2
SCHEMBL3710917 0.87 TOP2A (0.58) PARP1DHODHIKBKBTOP2AALDH1A1
SCHEMBL206244 0.84 PKN1 (0.52) PARP1PARP2PKN1PKN2MKNK2
SCHEMBL204764 0.84 TOP2A (0.61) PARP1DHODHPARP2IKBKBTOP2A
SCHEMBL122514 0.83 ALDH1A1 (0.55) DHODHMKNK1MKNK2IKBKBTOP2A
SCHEMBL206525 0.82 PARP1 (0.52) PARP1IKBKBTOP2AALDH1A1MEN1
SCHEMBL204524 0.81 PARP1 (0.53) PARP1IKBKBTOP2AALDH1A1HSD17B10
SCHEMBL205454 0.81 TOP2A (0.48) PARP1HDAC6TOP2AALDH1A1HSD17B10
SCHEMBL206399 0.81 HTR3A (0.53) PARP1HDAC6TOP2AALDH1A1MEN1
SCHEMBL206391 0.81 PARP1 (0.53) PARP1PARP2IKBKBTOP2A

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-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-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

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-20110293744-A1 BENZOXAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 PARP1 1/4885DHODH 734/4885PARP2 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.