SCHEMBL532842

SCHEMBL532842

CC1Oc2cc(CNc3ncc(-c4ccccc4)n3C)ccc2NC1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 13/20 0.56
KMT2A Q03164 4/20 0.54
PARP1 P09874 2/20 0.49
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 5/20 0.48
TP53 P04637 3/20 0.48
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPK1 P28482 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TSHR P16473 1/20 0.48
CYP1A2 P05177 3/20 0.46
CYP2D6 P10635 3/20 0.46
CYP2C9 P11712 3/20 0.46
HPGD P15428 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP3A4 P08684 2/20 0.46
MEN1 O00255 3/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL7216645 0.71 GAA (0.82) GAAKMT2AALDH1A1KDM4ETP53
SCHEMBL7217592 0.71 GAA (0.90) GAAKMT2AALDH1A1KDM4ETP53
SCHEMBL24367734 0.69 GAA (0.72) GAAKMT2AALDH1A1KDM4ETP53
SCHEMBL10267424 0.69 PARP1 (0.88) PARP1TP53
SCHEMBL531760 0.68 PARP1 (0.55) KMT2APARP1ALDH1A1KDM4EALOX15
SCHEMBL532477 0.67 PARP1 (1.00) PARP1TP53ALOX15HSD17B10
SCHEMBL6296997 0.66 CREBBP (0.57) PARP1ALDH1A1HPGD
SCHEMBL19002480 0.66 GAA (0.79) GAAKMT2AALDH1A1KDM4ETP53
SCHEMBL6310170 0.65 PARP1 (0.95) PARP1TP53ALOX15HSD17B10
SCHEMBL531880 0.65 PARP1 (0.52) KMT2APARP1ALDH1A1KDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669249-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-11 US disclosed
US-8669249-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-11 US disclosed
US-8669249-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-11 US disclosed
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
EP-2415767-A1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors Takeda Pharmaceutical Company Limited (JP) 2012-02-08 EP disclosed
EP-2415767-A1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors Takeda Pharmaceutical Company Limited (JP) 2012-02-08 EP disclosed
WO-2010111626-A2 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 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-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 GAA 551/4885KMT2A 1732/4885PARP1 1/4885

“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.