SCHEMBL1244748

SCHEMBL1244748

NCCC(=O)Nc1ccc(C=Cc2ccc3ccccc3n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.56
RAB9A P51151 5/20 0.56
MAPT P10636 5/20 0.56
LMNA P02545 5/20 0.56
NPC1 O15118 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 2/20 0.56
PKM P14618 2/20 0.54
MAPK1 P28482 2/20 0.50
HTT P42858 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50

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
SCHEMBL1246543 0.91 KDM4E (0.57) KDM4ERAB9AMAPTLMNANPC1
SCHEMBL28435833 0.83 RAB9A (0.65) KDM4ERAB9AMAPTLMNANPC1
SCHEMBL28435835 0.83 RAB9A (0.65) KDM4ERAB9AMAPTLMNANPC1
SCHEMBL1246644 0.80 MAPT (0.54) KDM4ERAB9AMAPTLMNANPC1
SCHEMBL10401659 0.77 GRM4 (0.57) KDM4ERAB9AMAPTLMNANPC1
SCHEMBL9620104 0.77 CYSLTR2 (0.61) KDM4ERAB9ALMNANPC1MEN1
SCHEMBL10401660 0.77 GRM4 (0.57) KDM4ERAB9AMAPTLMNANPC1
SCHEMBL9620100 0.77 CYSLTR2 (0.61) KDM4ERAB9ALMNANPC1MEN1
SCHEMBL9170782 0.77 RAB9A (0.89) KDM4ERAB9AMAPTLMNANPC1
SCHEMBL9170780 0.77 RAB9A (0.89) KDM4ERAB9AMAPTLMNANPC1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459734-B1 NOVEL PEPTIDASE SUBSTRATES BIOMERIEUX SA (FR) 2014-10-08 EP claimed
US-8592174-B2 Peptidase substrates bioMérieux, S.A. (FR) 2013-11-26 US claimed
EP-2459734-A2 NOVEL PEPTIDASE SUBSTRATES Biomérieux (FR) 2012-06-06 EP claimed
US-20120122135-A1 Novel Peptidase Substrates bioMerieux, SA (FR) 2012-05-17 US claimed
WO-2011012809-A2 NOVEL PEPTIDASE SUBSTRATES bioMérieux (FR) 2011-02-03 WO claimed
EP-2459734-B1 NOVEL PEPTIDASE SUBSTRATES BIOMERIEUX SA (FR) 2014-10-08 EP disclosed
US-8592174-B2 Peptidase substrates bioMérieux, S.A. (FR) 2013-11-26 US disclosed
EP-2459734-A2 NOVEL PEPTIDASE SUBSTRATES Biomérieux (FR) 2012-06-06 EP disclosed
US-20120122135-A1 Novel Peptidase Substrates bioMerieux, SA (FR) 2012-05-17 US disclosed
WO-2011012809-A2 NOVEL PEPTIDASE SUBSTRATES bioMérieux (FR) 2011-02-03 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-20120122135-A1 Novel Peptidase Substrates CPN1, CTRL, ANPEP KDM4E 3975/4885RAB9A 3601/4885MAPT 4874/4885

“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.