SCHEMBL532844

SCHEMBL532844

CC1Oc2ccc(CN(C)Cc3ccccc3Cl)cc2NC1=O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.55
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
PYCR1 P32322 1/20 0.38
SMYD3 Q9H7B4 1/20 0.37
KDR P35968 1/20 0.37
ACHE P22303 1/20 0.36

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
SCHEMBL531431 0.86 PARP1 (0.68) PARP1TSHRHTTALOX15HSD17B10
SCHEMBL531869 0.85 PARP1 (0.55) PARP1ALOX15HSD17B10PDE3BPDE3A
SCHEMBL531695 0.84 PARP1 (0.57) PARP1ALOX15HSD17B10PDE3BPDE3A
SCHEMBL532511 0.83 PARP1 (0.61) PARP1ALOX15HSD17B10PDE3BPDE3A
SCHEMBL7708056 0.81 PARP1 (0.47) PARP1ALOX15HSD17B10SMYD3KDR
SCHEMBL6992288 0.81 PARP1 (0.75) PARP1TSHRHTTSMYD3
SCHEMBL532437 0.81 PARP1 (0.54) PARP1ALOX15HSD17B10PDE3BPDE3A
SCHEMBL531857 0.80 PARP1 (0.63) PARP1HTTALOX15HSD17B10PDE3B
SCHEMBL531573 0.80 PARP1 (0.53) PARP1ALOX15HSD17B10PDE3BPDE3A
SCHEMBL532821 0.79 PARP1 (0.52) PARP1ALOX15HSD17B10PDE3BPDE3A

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 1/4885TSHR 4503/4885HTT 2124/4885

“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.