SCHEMBL7546955

SCHEMBL7546955

CCN(CC)CCN(CCN(CC)CC)c1ccccc1-c1nc2ccccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.51
ALDH1A1 P00352 7/20 0.51
RAB9A P51151 7/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
NPSR1 Q6W5P4 5/20 0.51
HPGD P15428 3/20 0.51
HTT P42858 3/20 0.51
TSHR P16473 1/20 0.51
LMNA P02545 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 8/20 0.48
MAPT P10636 3/20 0.48
PKM P14618 2/20 0.48
HSD17B10 Q99714 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL7550047 0.87 ACHE (0.46) NPC1ALDH1A1RAB9ASMN1; SMN2NPSR1
SCHEMBL7553973 0.87 PDE5A (0.53) NPC1ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL7158379 0.87 PDE5A (0.42) NPC1ALDH1A1RAB9ASMN1; SMN2NPSR1
SCHEMBL7160066 0.86 NPC1 (0.54) NPC1ALDH1A1RAB9ASMN1; SMN2NPSR1
SCHEMBL7547644 0.86 ACHE (0.44) NPC1ALDH1A1RAB9ASMN1; SMN2NPSR1
SCHEMBL7553927 0.86 ACHE (0.54) ALDH1A1SMN1; SMN2HPGDCYP1A2CYP2D6
SCHEMBL7546126 0.84 NPC1 (0.49) NPC1ALDH1A1RAB9AHTTCYP1A2
SCHEMBL7160110 0.83 PDE5A (0.56)
SCHEMBL7553017 0.83 KDM4E (0.41) NPC1ALDH1A1SMN1; SMN2NPSR1HPGD
SCHEMBL7549579 0.79 NPC1 (0.53) NPC1ALDH1A1RAB9ASMN1; SMN2HPGD

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 3 patents. 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
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 NPC1 385/4885ALDH1A1 2817/4885RAB9A 3773/4885

“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.