SCHEMBL3053255

SCHEMBL3053255

[CH2]Cc1ccc(C(=O)NCCC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
KDM4E B2RXH2 2/20 0.57
NAMPT P43490 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HTT P42858 2/20 0.49
MEN1 O00255 2/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
ALDH1A1 P00352 3/20 0.47
NAAA Q02083 1/20 0.47
PLK1 P53350 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ESRRG P62508 1/20 0.47

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
SCHEMBL13918749 0.87 KDM4E (0.70) KMT2AKDM4ENAMPTL3MBTL1DRD2
SCHEMBL6360077 0.85 PLK1 (0.63) KMT2AKDM4ENAMPTL3MBTL1HDAC3
SCHEMBL95372 0.85 KDM4E (0.60) KMT2AKDM4ENAMPTL3MBTL1DRD2
SCHEMBL23146038 0.84 HPGD (0.53) KDM4EHDAC2HTTALDH1A1LMNA
SCHEMBL10788676 0.84 KDM4E (0.58) KMT2AKDM4ENAMPTL3MBTL1HDAC3
SCHEMBL10950404 0.84 PLK1 (0.68) KMT2AKDM4EMEN1ALDH1A1PLK1
SCHEMBL12559605 0.82 KDM4E (0.57) KMT2AKDM4ENAMPTL3MBTL1HDAC3
SCHEMBL14350257 0.81 KDM4E (0.64) KMT2AKDM4ENAMPTL3MBTL1DRD2
SCHEMBL10948379 0.81 PLK1 (0.70) KMT2AKDM4EL3MBTL1MEN1NAAA
Hydrochloric Acid SCHEMBL6442968 0.81 KMT2A (0.59) KMT2AKDM4ENAMPTL3MBTL1HDAC3

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-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US disclosed
EP-2207773-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF Otsuka Pharmaceutical Co., Ltd. (JP) 2010-07-21 EP disclosed
WO-2009057811-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 KMT2A 2904/4885KDM4E 2634/4885NAMPT 2411/4885

“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.