SCHEMBL7549558

SCHEMBL7549558

c1cc(CNCCN2CCCCC2)cc(-c2nc3ccncc3[nH]2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.48
DPP7 Q9UHL4 1/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ATR Q13535 1/20 0.43
NPY5R Q15761 1/20 0.43
VSIR Q9H7M9 1/20 0.42
PARP1 P09874 3/20 0.41
ACHE P22303 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPSE Q9Y251 1/20 0.40
KIT P10721 1/20 0.40
PKM P14618 2/20 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
SCHEMBL7554505 0.92 MAP4K4 (0.48) MAP4K4DPP7ALDH1A1KDM4EHPGD
SCHEMBL7553596 0.88 HPSE (0.48) DPP7ALDH1A1KDM4EHPGDNPC1
SCHEMBL7549696 0.88 ACHE (0.53) MAP4K4DPP7ALDH1A1KDM4EHPGD
SCHEMBL7547685 0.84 ACHE (0.56) MAP4K4DPP7ALDH1A1KDM4EHPGD
SCHEMBL7554493 0.84 MAP4K4 (0.52) MAP4K4DPP7ALDH1A1KDM4EHPGD
SCHEMBL7548837 0.83 CCR2 (0.54) MAP4K4DPP7HDAC6ATRVSIR
SCHEMBL7553583 0.82 MAP4K4 (0.48) MAP4K4DPP7HDAC6ATRVSIR
SCHEMBL7554554 0.81 MAP4K4 (0.48) MAP4K4DPP7ATRNPY5RVSIR
SCHEMBL7553494 0.80 PDE5A (0.45) DPP7NPY5RACHECYP2D6
SCHEMBL7546025 0.80 CYP3A4 (0.46) DPP7ALDH1A1KDM4ERAB9AHTT

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 MAP4K4 1964/4885DPP7 2503/4885ALDH1A1 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.