SCHEMBL531688

SCHEMBL531688

CNC(=O)c1ccc(N2CCN(C(=O)O)CC2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.51
POLB P06746 1/20 0.51
PARP1 P09874 4/20 0.47
LMNA P02545 5/20 0.45
ALDH1A1 P00352 4/20 0.45
TSHR P16473 3/20 0.45
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SCN9A Q15858 1/20 0.44
AKR1C3 P42330 1/20 0.43
NPY2R P49146 1/20 0.43
HTR7 P34969 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PARP2 Q9UGN5 1/20 0.42
NPC1 O15118 1/20 0.42
APOBEC3A P31941 1/20 0.42
RAB9A P51151 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL20339546 0.86 PARP1 (0.53) HTTPARP1LMNAALDH1A1NPSR1
SCHEMBL2773033 0.85 PARP1 (0.50) HTTPOLBPARP1LMNAALDH1A1
SCHEMBL532568 0.84 PARP1 (0.51) HTTPOLBPARP1HTR7
SCHEMBL6125348 0.84 ALDH1A3 (0.51) HTTPOLBPARP1LMNAALDH1A1
SCHEMBL25235110 0.83 NPC1 (0.54) HTTPOLBLMNAALDH1A1HPGD
SCHEMBL707999 0.83 LMNA (0.56) HTTPOLBPARP1LMNAALDH1A1
SCHEMBL1160652 0.82 PARP1 (0.46) HTTPOLBPARP1LMNAALDH1A1
SCHEMBL532443 0.82 HTR3A (0.51) HTTPOLBPARP1ALDH1A1SCN9A
Hydrochloric Acid SCHEMBL710272 0.81 HTR3A (0.50) POLBPARP1ALDH1A1SCN9AHTR7
SCHEMBL9052600 0.79 HTT (0.71) HTTPOLBLMNAALDH1A1TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415767-B1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL (JP) 2014-09-03 EP 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
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 HTT 2124/4885POLB 25/4885PARP1 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.