SCHEMBL531869

SCHEMBL531869

CC1Oc2ccc(CN(C)Cc3ccc(Cl)cc3)cc2NC1=O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.55
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.40
LMNA P02545 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39

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
SCHEMBL531695 0.90 PARP1 (0.57) PARP1PDE3BPDE3ATP53POLB
SCHEMBL531431 0.89 PARP1 (0.68) PARP1PDE3BPDE3AHSD17B10ALOX15
SCHEMBL2119917 0.88 PARP1 (0.48) PARP1TP53POLBSMN1; SMN2HSD17B10
SCHEMBL532437 0.88 PARP1 (0.54) PARP1PDE3BPDE3ATP53HSD17B10
SCHEMBL531573 0.87 PARP1 (0.53) PARP1PDE3BPDE3ASMN1; SMN2HSD17B10
SCHEMBL532821 0.86 PARP1 (0.52) PARP1PDE3BPDE3AHSD17B10ALOX15
SCHEMBL532511 0.86 PARP1 (0.61) PARP1PDE3BPDE3AHSD17B10ALOX15
SCHEMBL532844 0.85 PARP1 (0.55) PARP1PDE3BPDE3AHSD17B10ALOX15
SCHEMBL2119988 0.84 TP53 (0.54) PARP1MEN1KMT2ATP53POLB
SCHEMBL532840 0.82 PARP1 (0.56) PARP1PDE3BPDE3AHSD17B10ALOX15

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 1/4885MEN1 3624/4885KMT2A 1732/4885

“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.