SCHEMBL3783253

SCHEMBL3783253

O=C1Nc2cc(CO)cnc2N2CCCC12

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
KDM4E B2RXH2 6/20 0.67
KMT2A Q03164 6/20 0.67
MAPT P10636 5/20 0.67
MEN1 O00255 4/20 0.67
HPGD P15428 3/20 0.67
ALOX15 P16050 3/20 0.67
HSD17B10 Q99714 3/20 0.67
PARP1 P09874 4/20 0.48
CHEK1 O14757 1/20 0.47
MAP2K1 Q02750 1/20 0.47
GAA P10253 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.36
USP2 O75604 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL710428 1.00 ALDH1A1 (0.67) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL6125325 0.96 ALDH1A1 (0.62) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL710523 0.96 ALDH1A1 (0.62) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL708661 0.96 ALDH1A1 (0.62) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL710509 0.92 ALDH1A1 (0.56) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL13285283 0.89 ALDH1A1 (0.69) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL14979273 0.85 KDM4E (0.48) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL710138 0.83 KDM4E (0.46) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL707322 0.82 KDM4E (0.46) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL708303 0.82 KDM4E (0.46) ALDH1A1KDM4EKMT2AMAPTMEN1

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
US-20120122835-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-17 US disclosed
US-8124606-B2 Substituted 7,8,9,10-tetrahydro-5H-dipyrido[1,2-a:3′,2′-e]pyrazin-6(6aH)-ones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-28 US disclosed
US-20110158989-A1 Poly (ADP-Ribose) Polymerase (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-30 US disclosed
WO-2010085570-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 WO disclosed
WO-2010085570-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 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 (2 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-20120122835-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 ALDH1A1 734/4885KDM4E 1974/4885KMT2A 1299/4885
US-20110158989-A1 Poly (ADP-Ribose) Polymerase (PARP) INHIBITORS PARP1, PARP3, PARP2 ALDH1A1 734/4885KDM4E 1974/4885KMT2A 1299/4885

“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.