SCHEMBL7550136

SCHEMBL7550136

CCN(CC)CCN(CCN(CC)CC)c1cccc(-c2nc3cnccc3n2CC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 8/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
MAPT P10636 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 2/20 0.45
LMNA P02545 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RPS6KB1 P23443 1/20 0.43
CDK2 P24941 1/20 0.43
ROCK1 Q13464 1/20 0.43
DYRK1A Q13627 1/20 0.43
RPS6KA1 Q15418 1/20 0.43
NLRP3 Q96P20 1/20 0.41
ATM Q13315 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
SCHEMBL7549617 0.92 CYP11B1 (0.48) RPS6KA5CYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL7155399 0.88 NPC1 (0.60) RPS6KA5CYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL7548733 0.87 MAPT (0.54) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL7555014 0.87 KDM4E (0.60) RPS6KA5CYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL7159278 0.85 NPC1 (0.43) RPS6KA5CYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL7551302 0.82 CYP1A2 (0.39) CYP11B1CYP11B2ALDH1A1HPGDSMN1; SMN2
SCHEMBL7153692 0.82 NPC1 (0.48) CYP11B1CYP11B2KDM4EALDH1A1HPGD
SCHEMBL8518781 0.81 NPC1 (0.52) RPS6KA5CYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL7546958 0.81 CYP11B1 (0.38) CYP11B1CYP11B2KDM4EALDH1A1HPGD
SCHEMBL7551005 0.80 MYC (0.42) CYP11B1CYP11B2KDM4EALDH1A1HPGD

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 RPS6KA5 3324/4885CYP11B1 842/4885CYP11B2 905/4885

“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.