SCHEMBL532492

SCHEMBL532492

O=[N+]([O-])c1cccc(Cn2ncc3ccccc32)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.47
GPR35 Q9HC97 1/20 0.44
KMO O15229 1/20 0.43
ALDH1A1 P00352 4/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
TSHR P16473 1/20 0.40
ADRA2A P08913 1/20 0.39
CYP1A2 P05177 1/20 0.38
ERN1 O75460 1/20 0.38
APAF1 O14727 1/20 0.37
ATM Q13315 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
CASR P41180 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CASP6 P55212 1/20 0.37
MEN1 O00255 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
SCHEMBL11731501 0.78 ALDH1A1 (0.46) GPR35KMOALDH1A1CYP1A2HTT
SCHEMBL531900 0.77 RECQL (0.52) RECQLGPR35KMOALDH1A1TSHR
SCHEMBL11004297 0.75 GLS (0.60) ALDH1A1ADORA2AADORA1TSHRSMN1; SMN2
SCHEMBL4068310 0.73 NPBWR1 (0.47) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL1921324 0.72 RECQL (0.65) RECQLKMOALDH1A1ADORA2AADORA1
SCHEMBL8644415 0.70 ALDH1A1 (0.67) RECQLGPR35ALDH1A1TSHRCYP1A2
SCHEMBL11306648 0.70 GPR35 (0.69) RECQLGPR35ALDH1A1TSHRCYP1A2
SCHEMBL25290375 0.69 RECQL (0.53) RECQLALDH1A1TSHRMEN1KMT2A
SCHEMBL2049090 0.69 RECQL (0.53) RECQLALDH1A1TSHRMEN1KMT2A
SCHEMBL30491733 0.69 RECQL (0.53) RECQLALDH1A1TSHRMEN1KMT2A

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 4 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-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 RECQL 194/4885GPR35 4412/4885KMO 2429/4885

“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.