SCHEMBL6139027

SCHEMBL6139027

COc1ccc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)c(O)c1OC

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 11/20 0.56
CASP5 P51878 11/20 0.56
CASP4 P49662 9/20 0.56
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 3/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
MGLL Q99685 1/20 0.44

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
SCHEMBL6139052 0.81 KDM4E (0.49) CASP1CASP5CASP4MEN1KMT2A
Hydrochloric Acid SCHEMBL6772881 0.81 KDM4E (0.48) CASP1CASP5CASP4MEN1KMT2A
SCHEMBL6139458 0.81 KMT2A (0.72) MEN1KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL6139004 0.79 KDM4E (0.47) CASP1CASP5CASP4MEN1KMT2A
Hydrochloric Acid SCHEMBL6774817 0.79 KDM4E (0.46) CASP1CASP5CASP4MEN1KMT2A
Hydrochloric Acid SCHEMBL6774850 0.78 ALDH1A1 (0.45) CASP1CASP5CASP4MEN1KMT2A
SCHEMBL9689427 0.78 CASP1 (0.65) CASP1CASP5CASP4KDM4ELMNA
Hydrochloric Acid SCHEMBL6778734 0.76 ALDH1A1 (0.44) CASP1CASP5CASP4MEN1KMT2A
SCHEMBL7758530 0.76 GAA (0.57) MEN1KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL8947821 0.76 MEN1 (0.61) MEN1KMT2AKDM4ELMNASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1277746-B1 N-benzylpiperazine derivatives, process for their preparation and pharmaceutical compositions thereof SERVIER LAB (FR) 2005-05-11 EP disclosed
US-6686360-B2 ANTIISCHEMIC AGENTS LES LABORATOIRES SERVIER (FR) 2004-02-03 US disclosed
US-20030158207-A1 N-benzylpiperazine compounds LES LABORATOIRES SERVIER (FR) 2003-08-21 US disclosed
EP-1277746-A2 N-benzylpiperazine derivatives, process for their preparation and pharmaceutical compositions thereof Les Laboratoires Servier (FR) 2003-01-22 EP 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-20030158207-A1 N-benzylpiperazine compounds NPPA, BAD, GLS CASP1 284/4885CASP5 89/4885CASP4 1282/4885

“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.