SCHEMBL7546944

SCHEMBL7546944

CCN(CC)CCN(CCN(CC)CC)c1ccc(-c2nc3ccccc3n2CC)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
KDM4E B2RXH2 6/20 0.68
HPGD P15428 4/20 0.68
NPSR1 Q6W5P4 3/20 0.68
MAPT P10636 2/20 0.68
HTT P42858 2/20 0.68
MEN1 O00255 1/20 0.68
NPC1 O15118 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
RAB9A P51151 1/20 0.68
GFER P55789 1/20 0.68
KMT2A Q03164 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
DRD3 P35462 10/20 0.56
DRD2 P14416 9/20 0.56
PKM P14618 1/20 0.52
NLRP3 Q96P20 1/20 0.47

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
SCHEMBL7548733 0.87 MAPT (0.54) ALDH1A1KDM4EHPGDNPSR1MAPT
SCHEMBL7155256 0.86 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDNPSR1MAPT
SCHEMBL7554486 0.84 KDM4E (0.51) ALDH1A1KDM4EHPGDNPSR1MAPT
SCHEMBL7555014 0.84 KDM4E (0.60) ALDH1A1KDM4EHPGDNPSR1MAPT
SCHEMBL7554859 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDNPSR1MAPT
SCHEMBL7160138 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDNPSR1MAPT
SCHEMBL18969862 0.81 KDM4E (1.00) ALDH1A1KDM4EHPGDNPSR1MAPT
SCHEMBL19275978 0.78 KDM4E (0.77) ALDH1A1KDM4EHPGDNPSR1MAPT
SCHEMBL5009162 0.78 KDM4E (0.77) ALDH1A1KDM4EHPGDNPSR1MAPT
SCHEMBL7550218 0.76 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDNPSR1MAPT

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 ALDH1A1 2817/4885KDM4E 2846/4885HPGD 3609/4885

“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.