SCHEMBL532304

SCHEMBL532304

CC(c1ccc2c(c1)NC(=O)CO2)N1CC=C(c2ccc(Cl)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.61
MMP12 P39900 1/20 0.44
DRD4 P21917 1/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
ACLY P53396 1/20 0.43
NR3C2 P08235 2/20 0.42
THRB P10828 1/20 0.40
KDM4E B2RXH2 3/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
OPRK1 P41145 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL532506 0.76 PARP1 (1.00) PARP1DRD4KDM4EALDH1A1
SCHEMBL2122500 0.74 PARP1 (0.82) PARP1DRD4
SCHEMBL9920485 0.70 MMP12 (0.64) PARP1MMP12MAPTACLYSMN1; SMN2
SCHEMBL18965040 0.70 KDM4E (0.48) MAPTTHRBKDM4ERAB9ANPC1
SCHEMBL302933 0.69 MMP12 (0.65) PARP1MMP12DRD4MAPTPOLB
SCHEMBL30015279 0.69 MMP12 (0.65) PARP1MMP12DRD4MAPTPOLB
SCHEMBL8195980 0.69 ACLY (0.58) PARP1MMP12MAPTACLYRAB9A
SCHEMBL24775966 0.68 MMP12 (0.60) PARP1MMP12MAPTACLYSMN1; SMN2
SCHEMBL24346161 0.68 MMP12 (0.60) PARP1MMP12MAPTACLYNR3C2
SCHEMBL24999115 0.68 MMP12 (0.60) PARP1MMP12MAPTACLYNR3C2

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 PARP1 1/4885MMP12 1728/4885DRD4 4620/4885

“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.