SCHEMBL531791

SCHEMBL531791

CC1Oc2ccc(S(=O)(=O)N3CCCC3)cc2NC1=O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CASP3 P42574 4/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
CASP9 P55211 1/20 0.50
BRD4 O60885 1/20 0.48
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
PARP1 P09874 3/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL532108 0.99 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL532464 0.90 KDM4E (0.59) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL532100 0.84 PARP1 (0.64) ALDH1A1MEN1KMT2ASMN1; SMN2PARP1
SCHEMBL23416184 0.80 MAPT (0.55) ALDH1A1MEN1KMT2AKDM4EPARP1
SCHEMBL531701 0.78 L3MBTL1 (0.67) PARP1
SCHEMBL23415975 0.77 BRD4 (0.56) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL532240 0.75 GAA (0.65) MEN1KMT2ACASP3CASP1CASP7
SCHEMBL532616 0.74 GAA (0.64) MEN1KMT2ACASP3GAA
SCHEMBL22796475 0.73 LMNA (0.65) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL23416239 0.72 BRD4 (0.54) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2

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 8 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
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 445/4885MEN1 3624/4885KMT2A 1732/4885

“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.