SCHEMBL7549644

SCHEMBL7549644

CN(C)CCN(CCN(C)C)c1ccc(-c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.64
NPC1 O15118 9/20 0.59
RAB9A P51151 9/20 0.59
KDM4E B2RXH2 9/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
POLB P06746 2/20 0.59
GAA P10253 1/20 0.55
ALDH1A1 P00352 6/20 0.54
HPGD P15428 3/20 0.54
MAPT P10636 2/20 0.54
TP53 P04637 2/20 0.54
HSD17B10 Q99714 2/20 0.54
GFER P55789 1/20 0.54
PKM P14618 4/20 0.54
HDAC6 Q9UBN7 1/20 0.54
PKN1 Q16512 1/20 0.51
PKN2 Q16513 1/20 0.51
HPSE Q9Y251 1/20 0.50
ABCB11 O95342 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL7548236 0.86 ACHE (0.55) ACHENPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL7549579 0.86 NPC1 (0.53) ACHENPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL62491 0.85 RAB9A (0.62) ACHENPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL31223946 0.84 NPC1 (0.57) ACHENPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL7551054 0.83 AURKA (0.71) ACHENPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL7547965 0.83 AURKA (0.56) ACHENPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL60856 0.82 AURKA (0.66) ACHENPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL7553489 0.82 ACHE (0.55) ACHENPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL7546708 0.82 ACHE (0.67) ACHENPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL8519745 0.82 ACHE (0.67) ACHENPC1RAB9AKDM4ESMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020099054-A1 2-phenyl benzimidazole derivatives as MCP-1 antagonists WARNER-LAMBERT COMPANY (US) 2002-07-25 US disclosed
EP-0927167-A1 2-PHENYL BENZIMIDAZOLE DERIVATIVES AS MCP-1 ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-07-07 EP disclosed
WO-1998006703-A1 2-PHENYL BENZIMIDAZOLE DERIVATIVES AS MCP-1 ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-02-19 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-20020099054-A1 2-phenyl benzimidazole derivatives as MCP-1 antagonists CCR1, CCR2, CCR8 ACHE 4652/4885NPC1 385/4885RAB9A 3773/4885

“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.