SCHEMBL531857

SCHEMBL531857

CC1Oc2ccc(CN(C)CCc3ccccc3)cc2NC1=O

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.63
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ROCK1 Q13464 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
BLM P54132 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
HDAC1 Q13547 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL531880 0.91 PARP1 (0.52) PARP1ALOX15HSD17B10ROCK1MEN1
SCHEMBL531431 0.91 PARP1 (0.68) PARP1ALOX15HSD17B10PDE3BPDE3A
SCHEMBL532511 0.85 PARP1 (0.61) PARP1ALOX15HSD17B10PDE3BPDE3A
SCHEMBL532670 0.82 HSD17B10 (0.57) PARP1ALOX15HSD17B10KMT2ASMYD3
SCHEMBL531695 0.82 PARP1 (0.57) PARP1ALOX15HSD17B10PDE3BPDE3A
SCHEMBL532840 0.81 PARP1 (0.56) PARP1ALOX15HSD17B10PDE3BPDE3A
SCHEMBL532792 0.81 PARP1 (0.65) PARP1ALOX15HSD17B10PDE3BPDE3A
SCHEMBL531760 0.81 PARP1 (0.55) PARP1ALOX15HSD17B10MEN1KMT2A
SCHEMBL7003692 0.80 PARP1 (0.74) PARP1ALOX15HSD17B10PDE3BPDE3A
SCHEMBL531829 0.80 PARP1 (0.64) PARP1ALOX15HSD17B10MEN1KMT2A

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 PARP1 1/4885ALOX15 1483/4885HSD17B10 1897/4885

“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.