SCHEMBL531945

SCHEMBL531945

CCC(=O)c1cc(Br)cc([N+](=O)[O-])c1O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.50
GPR35 Q9HC97 5/20 0.43
MAPT P10636 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HTT P42858 2/20 0.40
ESR1 P03372 1/20 0.39
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL11800576 0.86 ERN1 (0.51) ERN1GPR35MAPTMEN1KMT2A
SCHEMBL11074065 0.83 GPR35 (0.62) GPR35MAPTMEN1KMT2AL3MBTL1
SCHEMBL324659 0.82 ERN1 (0.54) ERN1GPR35MAPTMEN1KMT2A
SCHEMBL27780810 0.81 TTR (0.50) GPR35MAPTMEN1KMT2ATDP1
SCHEMBL11069085 0.81 GPR35 (0.43) GPR35MAPTMEN1KMT2ATDP1
SCHEMBL2312711 0.81 MAPT (0.54) ERN1GPR35MAPTMEN1KMT2A
SCHEMBL1446831 0.80 AKR1C2 (0.56) ERN1GPR35MAPTMEN1KMT2A
SCHEMBL27554179 0.79 KDM4E (0.42) ERN1MAPTKMT2AL3MBTL1GAA
SCHEMBL11288408 0.79 GPR35 (0.53) GPR35MAPTMEN1KMT2AL3MBTL1
SCHEMBL19341723 0.79 MAPT (0.45) GPR35MAPTMEN1KMT2AL3MBTL1

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
CN-1922141-A Novel heterocyclic compound DAINIPPON SUMITOMO PHARMA CO (JP) 2007-02-28 CN 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 ERN1 1074/4885GPR35 4412/4885MAPT 2713/4885

“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.