SCHEMBL532670

SCHEMBL532670

CC1Oc2ccc(CN(C)CC(=O)N(C)Cc3ccccc3)cc2NC1=O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.57
ALOX15 P16050 2/20 0.57
PARP1 P09874 8/20 0.57
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SMYD3 Q9H7B4 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL2119917 0.91 PARP1 (0.48) HSD17B10ALOX15PARP1ALDH1A1RAB9A
SCHEMBL531431 0.88 PARP1 (0.68) HSD17B10ALOX15PARP1ALDH1A1MAPK1
SCHEMBL532840 0.86 PARP1 (0.56) HSD17B10ALOX15PARP1SMYD3
SCHEMBL531829 0.84 PARP1 (0.64) HSD17B10ALOX15PARP1ALDH1A1NPC1
SCHEMBL10260498 0.84 PARP1 (0.70) HSD17B10ALOX15PARP1ALDH1A1MAPK1
SCHEMBL532558 0.83 PARP1 (0.56) HSD17B10ALOX15PARP1ALDH1A1SMN1; SMN2
SCHEMBL532511 0.83 PARP1 (0.61) HSD17B10ALOX15PARP1ALDH1A1MAPK1
SCHEMBL531857 0.82 PARP1 (0.63) HSD17B10ALOX15PARP1MAPK1SMYD3
SCHEMBL531865 0.81 PARP1 (0.48) HSD17B10ALOX15PARP1ALDH1A1SMN1; SMN2
SCHEMBL10222476 0.81 PARP1 (0.53) HSD17B10ALOX15PARP1ALDH1A1SMYD3

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-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
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 HSD17B10 1897/4885ALOX15 1483/4885PARP1 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.