SCHEMBL949568

SCHEMBL949568

Cc1nc(C(=O)NC2CCN(C(=O)OCc3ccccc3)CC2)c[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 4/20 0.52
HSD17B10 Q99714 2/20 0.52
ENPP2 Q13822 3/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HPGD P15428 2/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GRIN2B Q13224 3/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 1/20 0.47
NTSR1 P30989 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 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
SCHEMBL9241437 0.80 SMN1; SMN2 (0.68) MEN1KMT2AENPP2SMN1; SMN2NPC1
SCHEMBL6964208 0.78 KMT2A (0.65) MEN1KMT2AENPP2SMN1; SMN2NPC1
SCHEMBL7137790 0.77 SMN1; SMN2 (0.65) MEN1KMT2AENPP2SMN1; SMN2NPC1
SCHEMBL13451503 0.76 KMT2A (0.73) MEN1KMT2AKDM4EENPP2SMN1; SMN2
SCHEMBL9239522 0.76 SMN1; SMN2 (0.65) MEN1KMT2AENPP2SMN1; SMN2NPC1
SCHEMBL27417332 0.76 SMN1; SMN2 (0.70) MEN1KMT2AENPP2SMN1; SMN2NPC1
SCHEMBL1780742 0.75 SMN1; SMN2 (0.68) MEN1KMT2AENPP2SMN1; SMN2NPC1
SCHEMBL4096481 0.75 ENPP2 (0.52) MEN1KMT2AKDM4EHSD17B10ENPP2
SCHEMBL7136567 0.75 SMN1; SMN2 (0.62) MEN1KMT2AENPP2SMN1; SMN2NPC1
SCHEMBL4100463 0.75 MEN1 (0.51) MEN1KMT2AKDM4EHSD17B10ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 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 (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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 MEN1 1291/4885KMT2A 417/4885KDM4E 1356/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 MEN1 1197/4885KMT2A 491/4885KDM4E 1558/4885

“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.