SCHEMBL7549561

SCHEMBL7549561

CCN(CC)CCN(CCN(CC)CC)c1cccc(-c2nc3ccncc3[nH]2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.51
NPY5R Q15761 1/20 0.48
ALDH1A1 P00352 4/20 0.48
PKM P14618 2/20 0.48
KDM4E B2RXH2 4/20 0.47
HPGD P15428 3/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP11B1 P15538 1/20 0.42
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
PDE5A O76074 3/20 0.41
IKBKB O14920 1/20 0.41
LDHA P00338 1/20 0.40
EPHX2 P34913 1/20 0.40
HPSE Q9Y251 1/20 0.40
ACHE P22303 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL7549554 0.91 KDM4E (0.40) AURKANPY5RALDH1A1PKMKDM4E
SCHEMBL7554047 0.89 CCR2 (0.43) AURKANPY5RALDH1A1PKMKDM4E
SCHEMBL7546743 0.88 AURKA (0.56) AURKANPY5RALDH1A1PKMKDM4E
SCHEMBL7546617 0.87 AURKA (0.64) AURKANPY5RALDH1A1PKMKDM4E
SCHEMBL7554475 0.86 SMN1; SMN2 (0.52) ALDH1A1PKMKDM4EHPGDNPC1
SCHEMBL7553520 0.82 ACHE (0.60) ALDH1A1KDM4EHPGDNPC1ACHE
SCHEMBL7553087 0.82 AURKA (0.44) AURKAALDH1A1KDM4EHPGDNPC1
SCHEMBL7153735 0.81 NPY5R (0.49) AURKANPY5RMETAP2METAP1ACHE
SCHEMBL7547138 0.81 CCR2 (0.43) NPY5RALDH1A1KDM4EHPGDNPC1
SCHEMBL7550779 0.81 RHEB (0.47) 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 4675/4885NPY5R 649/4885ALDH1A1 2817/4885

“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.