SCHEMBL533011

SCHEMBL533011

COC(=O)C(C)Oc1ccc(Cn2ncc3ccccc32)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
RECQL P46063 1/20 0.40
BRD4 O60885 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 2/20 0.38
PKM P14618 1/20 0.38
HTT P42858 4/20 0.38
MAPT P10636 3/20 0.38
ERBB2 P04626 3/20 0.38
KAT7 O95251 1/20 0.37
KAT6A Q92794 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL532161 0.80 ALDH1A1 (0.46) ALDH1A1MEN1KMT2APKMHTT
SCHEMBL531900 0.77 RECQL (0.52) ALDH1A1RECQLBRD4MEN1KMT2A
SCHEMBL12992431 0.70 TTR (0.50) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL30806568 0.70 ALDH1A1 (0.53) ALDH1A1KMT2ARAB9ANPC1HTT
SCHEMBL30806257 0.69 L3MBTL1 (0.48) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL531814 0.69 PDK1 (0.46) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL16851396 0.69 PDK1 (0.46) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL532051 0.69 MAPT (0.49) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL1921324 0.69 RECQL (0.65) ALDH1A1RECQLMEN1KMT2AMAPT
SCHEMBL17055961 0.68 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ARAB9AMAPT

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 10 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
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 ALDH1A1 445/4885RECQL 194/4885BRD4 567/4885

“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.