SCHEMBL10149876

SCHEMBL10149876

Cc1c(C)c(N)c(N)c(C(N)=O)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
HSD17B10 Q99714 3/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 2/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPK1 P28482 1/20 0.32
PTK2B Q14289 1/20 0.31
ADORA1 P30542 1/20 0.31
AIP O00170 1/20 0.31
SGTA O43765 1/20 0.31
TOMM70 O94826 1/20 0.31
STIP1 P31948 1/20 0.31
PPP5C P53041 1/20 0.31
FKBP4 Q02790 1/20 0.31

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
SCHEMBL14349083 0.92 POLB (0.44) POLBALDH1A1KMT2AMEN1HSD17B10
SCHEMBL13948530 0.84 POLB (0.46) POLBALDH1A1KMT2AMEN1HSD17B10
SCHEMBL1003996 0.81 POLB (0.52) POLBALDH1A1KMT2AMEN1HSD17B10
SCHEMBL2221293 0.81 POLB (0.52) POLBALDH1A1KMT2AMEN1HSD17B10
SCHEMBL7406703 0.78 POLB (0.50) POLBALDH1A1KMT2AMEN1HSD17B10
SCHEMBL1004648 0.78 POLB (0.55) POLBALDH1A1KMT2AMEN1HSD17B10
Hydrochloric Acid SCHEMBL29030889 0.75 POLB (0.52) POLBALDH1A1KMT2AMEN1HSD17B10
SCHEMBL13961523 0.75 POLB (0.38) POLBALDH1A1KMT2AMEN1HSD17B10
SCHEMBL12257171 0.72 KDM4E (0.41) POLBALDH1A1KMT2AMEN1MAPT
SCHEMBL2221290 0.72 POLB (0.44) POLBALDH1A1KMT2AMEN1HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046303-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS ABBOTT LABORATORIES (US) 2012-02-23 US disclosed
US-8067613-B2 Benzimidazole poly(ADP ribose)polymerase inhibitors ABBOTT LABORATORIES (US) 2011-11-29 US disclosed
US-20090030016-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS ABBOTT LABORATORIES (US) 2009-01-29 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-20090030016-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS PARP1, PARP2, PARP3 POLB 21/4885ALDH1A1 769/4885KMT2A 1776/4885
US-20120046303-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS PARP1, PARP2, PARP3 POLB 21/4885ALDH1A1 769/4885KMT2A 1776/4885

“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.