SCHEMBL532464

SCHEMBL532464

CC1Oc2ccc(S(=O)(=O)N3CCOCC3)cc2NC1=O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 4/20 0.54
MAPT P10636 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
EGFR P00533 1/20 0.47
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
CASP1 P29466 1/20 0.45

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
SCHEMBL531791 0.90 ALDH1A1 (0.53) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL532108 0.89 ALDH1A1 (0.52) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL532100 0.82 PARP1 (0.64) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL23416359 0.80 KDM4E (0.43) KDM4EALDH1A1MAPTTDP1TSHR
SCHEMBL531848 0.77 RXFP1 (0.65) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL531701 0.76 L3MBTL1 (0.67)
SCHEMBL23415931 0.73 KDM4E (0.43) KDM4EALDH1A1MAPTTDP1GAA
SCHEMBL24296226 0.71 PKM (0.71) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL29483594 0.71 PKM (0.71) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL23416184 0.71 MAPT (0.55) KDM4EALDH1A1MAPTTDP1MEN1

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 9 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

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 KDM4E 2176/4885ALDH1A1 445/4885MAPT 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.