SCHEMBL7549677

SCHEMBL7549677

CCN(CC)CCN(CCN(CC)CC)c1ccc(-c2nc3cnccc3[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.51
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 6/20 0.44
HPGD P15428 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
ACHE P22303 2/20 0.42
PKM P14618 2/20 0.42
HPSE Q9Y251 1/20 0.40
PKN1 Q16512 1/20 0.40
PKN2 Q16513 1/20 0.40
GSK3B P49841 1/20 0.39
HDAC6 Q9UBN7 1/20 0.37
LDHA P00338 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL7546617 0.90 AURKA (0.64) AURKAALDH1A1KDM4EHPGDNPC1
SCHEMBL7546108 0.88 CCR2 (0.49) AURKAALDH1A1KDM4EHPGDNPC1
SCHEMBL7547965 0.88 AURKA (0.56) AURKAALDH1A1KDM4EHPGDNPC1
SCHEMBL7549554 0.87 KDM4E (0.40) AURKAALDH1A1KDM4EHPGDNPC1
SCHEMBL7549579 0.84 NPC1 (0.53) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL7548166 0.80 ACHE (0.56) AURKAALDH1A1KDM4EHPGDNPC1
SCHEMBL7155898 0.80 ACHE (0.39) AURKAALDH1A1KDM4EHPGDNPC1
SCHEMBL7547919 0.79 AURKA (0.51) AURKAALDH1A1KDM4EHPGDNPC1
SCHEMBL7278198 0.79 AURKA (0.78) AURKAALDH1A1KDM4EHPGDNPC1
SCHEMBL7158379 0.79 PDE5A (0.42) ALDH1A1KDM4EHPGDNPC1RAB9A

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 1 patent. 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

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 4675/4885ALDH1A1 2817/4885KDM4E 2846/4885

“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.