SCHEMBL7549554

SCHEMBL7549554

CCN(CC)CCN(CCN(CC)CC)c1cccc(-c2nc3cnccc3[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
LDHA P00338 1/20 0.40
EPHX2 P34913 1/20 0.40
AURKA O14965 2/20 0.40
ALDH1A1 P00352 7/20 0.40
HPGD P15428 5/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
CYP3A4 P08684 3/20 0.39
CYP11B1 P15538 1/20 0.39
NPY5R Q15761 1/20 0.39
MAPT P10636 2/20 0.39
STAT1 P42224 1/20 0.39
IKBKB O14920 1/20 0.39
ACHE P22303 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38

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
SCHEMBL7549561 0.91 AURKA (0.51) KDM4ELDHAEPHX2AURKAALDH1A1
SCHEMBL7547138 0.89 CCR2 (0.43) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL7155484 0.88 AURKA (0.44) KDM4ELDHAEPHX2AURKAALDH1A1
SCHEMBL7549677 0.87 AURKA (0.51) KDM4ELDHAEPHX2AURKAALDH1A1
SCHEMBL7554475 0.86 SMN1; SMN2 (0.52) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL7157983 0.82 ACHE (0.37) KDM4EAURKAALDH1A1HPGDNPC1
SCHEMBL7554578 0.82 ACHE (0.49) KDM4EAURKAALDH1A1HPGDNPC1
SCHEMBL7553087 0.82 AURKA (0.44) KDM4ELDHAEPHX2AURKAALDH1A1
SCHEMBL7554047 0.81 CCR2 (0.43) KDM4EAURKAALDH1A1HPGDNPC1
SCHEMBL7550779 0.81 RHEB (0.47) KDM4EALDH1A1HPGDNPC1RAB9A

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 KDM4E 2846/4885LDHA 3956/4885EPHX2 3955/4885

“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.