SCHEMBL7155484

SCHEMBL7155484

CN(C)CCN(CCN(C)C)c1cccc(-c2nc3cnccc3[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.44
KDM4E B2RXH2 6/20 0.42
LDHA P00338 1/20 0.42
EPHX2 P34913 1/20 0.42
ALDH1A1 P00352 6/20 0.41
HPGD P15428 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
CYP11B1 P15538 1/20 0.41
MAPT P10636 2/20 0.40
STAT1 P42224 1/20 0.40
HTR6 P50406 1/20 0.40
ACHE P22303 1/20 0.40
KIT P10721 1/20 0.40
CHEK2 O96017 1/20 0.39
PKN1 Q16512 1/20 0.39
PKN2 Q16513 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL7546743 0.91 AURKA (0.56) AURKAKDM4ELDHAEPHX2ALDH1A1
SCHEMBL7549554 0.88 KDM4E (0.40) AURKAKDM4ELDHAEPHX2ALDH1A1
SCHEMBL7547965 0.86 AURKA (0.56) AURKAKDM4ELDHAEPHX2ALDH1A1
SCHEMBL7548236 0.85 ACHE (0.55) AURKAKDM4ELDHAEPHX2ALDH1A1
SCHEMBL7155394 0.81 CHEK2 (0.40) AURKAKDM4EALDH1A1HPGDNPC1
SCHEMBL7155763 0.81 AURKA (0.48) AURKAKDM4ELDHAEPHX2ALDH1A1
SCHEMBL7547117 0.81 ACHE (0.47) AURKAKDM4EALDH1A1HPGDNPC1
SCHEMBL7156630 0.80 CCR2 (0.49) AURKAKDM4EALDH1A1HPGDNPC1
SCHEMBL7549561 0.79 AURKA (0.51) AURKAKDM4ELDHAEPHX2ALDH1A1
SCHEMBL7550061 0.79 ACHE (0.58) KDM4EALDH1A1HPGDNPC1MAPT

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
US-6534521-B2 Useful in the treatment of inflammation, atherosclerosis, restenosis, and immune disorders such as arthritis and transplant rejection MILLENNIUM PHARMACEUTICALS, INC. 2003-03-18 US disclosed
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 AURKA 4675/4885KDM4E 2846/4885LDHA 3956/4885

“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.