SCHEMBL531646

SCHEMBL531646

Cn1c(=O)c2c(nc(N3CCNCC3)n2C)n(C)c1=O

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.75
ALDH1A1 P00352 5/20 0.73
HTT P42858 2/20 0.69
DPP4 P27487 4/20 0.65
L3MBTL1 Q9Y468 2/20 0.59
HTR2A P28223 1/20 0.57
NPSR1 Q6W5P4 2/20 0.55
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.53
LMNA P02545 1/20 0.49

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
Fluorobenzene SCHEMBL27582642 0.88 DPP4 (0.67) KMT2AALDH1A1HTTDPP4L3MBTL1
SCHEMBL5075830 0.85 DPP4 (0.71) KMT2AALDH1A1HTTDPP4L3MBTL1
SCHEMBL27600177 0.81 DPP4 (0.67) KMT2AALDH1A1HTTDPP4L3MBTL1
SCHEMBL5642329 0.81 DPP4 (0.67) KMT2AALDH1A1HTTDPP4L3MBTL1
SCHEMBL5073444 0.81 DPP4 (0.72) KMT2AALDH1A1HTTDPP4L3MBTL1
SCHEMBL5718859 0.81 L3MBTL1 (0.80) KMT2AALDH1A1HTTDPP4L3MBTL1
SCHEMBL5643215 0.81 DPP4 (0.69) KMT2AALDH1A1HTTDPP4L3MBTL1
SCHEMBL555190 0.81 DPP4 (0.77) KMT2AALDH1A1HTTDPP4L3MBTL1
SCHEMBL5643920 0.81 DPP4 (0.69) KMT2AALDH1A1HTTDPP4L3MBTL1
SCHEMBL5639901 0.80 DPP4 (0.63) KMT2AALDH1A1HTTDPP4L3MBTL1

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 KMT2A 1732/4885ALDH1A1 445/4885HTT 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.