SCHEMBL7549940

SCHEMBL7549940

CCN(CC)CCN(CCN(CC)CC)c1ccc(-c2nc3ncccc3n2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
KDM4E B2RXH2 4/20 0.46
TP53 P04637 3/20 0.46
HSD17B10 Q99714 3/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 3/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 3/20 0.40
BACE1 P56817 1/20 0.40
DRD3 P35462 8/20 0.39
DRD2 P14416 7/20 0.39
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL7554859 0.88 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AKDM4ETP53
SCHEMBL7156596 0.87 BACE1 (0.38) ALDH1A1NPC1RAB9AKDM4ETP53
SCHEMBL7159519 0.85 KMT2A (0.40) ALDH1A1NPC1RAB9AKDM4ETP53
SCHEMBL7157946 0.82 KDM4E (0.48) ALDH1A1NPC1RAB9AKDM4ETP53
SCHEMBL7155256 0.81 ALDH1A1 (0.63) ALDH1A1NPC1RAB9AKDM4ETP53
SCHEMBL7157953 0.81 PKM (0.39) ALDH1A1NPC1RAB9AKDM4EHSD17B10
SCHEMBL7154096 0.76 NPC1 (0.65) ALDH1A1NPC1RAB9AKDM4ETP53
SCHEMBL7159607 0.76 NPC1 (0.80) ALDH1A1NPC1RAB9AKDM4ETP53
SCHEMBL7546958 0.76 CYP11B1 (0.38) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL9611671 0.74 KMT2A (0.66) ALDH1A1NPC1RAB9AKDM4ETP53

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-20020099054-A1 2-phenyl benzimidazole derivatives as MCP-1 antagonists WARNER-LAMBERT COMPANY (US) 2002-07-25 US disclosed
US-6348487-B1 ANTIINFLAMMATORY AGENTS, ATHEROSCLEROSIS, RESTINOSIS AND IMMUNE DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2002-02-19 US disclosed
US-6184235-B1 MONOCYTE CHEMOATTRACTANT PROTEIN-1 (MCP-1) ANTAGONIST FOR TREATMENT OF INFLAMMATORY DISEASES, ATHEROSCLEROSIS, RESTENOSIS, AUTOIMMUNE DISEASES, ORGAN TRANSPLANT REJECTION IN MAMMALS WARNER-LAMBERT COMPANY 2001-02-06 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 ALDH1A1 2817/4885NPC1 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.