SCHEMBL7550218

SCHEMBL7550218

CCN(CC)CCN(CCN(CC)CC)c1ccc(-c2nc3cncnc3n2CC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 6/20 0.42
HPGD P15428 3/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 10/20 0.39
CYP3A4 P08684 9/20 0.39
CYP2C9 P11712 8/20 0.39
CYP2C19 P33261 7/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL7548704 0.87 HSD17B10 (0.51) ALDH1A1HSD17B10HPGDLMNAKDM4E
SCHEMBL7551302 0.87 CYP1A2 (0.39) ALDH1A1HSD17B10HPGDLMNASMN1; SMN2
SCHEMBL7660693 0.84 HSD17B10 (0.40) ALDH1A1HSD17B10HPGDLMNAKDM4E
SCHEMBL7553956 0.82 MYC (0.47) ALDH1A1HSD17B10HPGDLMNAKDM4E
SCHEMBL7555014 0.81 KDM4E (0.60) ALDH1A1HSD17B10HPGDLMNAKDM4E
SCHEMBL7549611 0.80 CYP1A2 (0.40) ALDH1A1HSD17B10LMNANPC1RAB9A
SCHEMBL7554486 0.78 KDM4E (0.51) ALDH1A1HSD17B10HPGDLMNAKDM4E
SCHEMBL7546944 0.76 ALDH1A1 (0.68) ALDH1A1HSD17B10HPGDLMNAKDM4E
SCHEMBL7159220 0.75 CYP1A2 (0.44) ALDH1A1HSD17B10HPGDLMNAKDM4E
SCHEMBL7157946 0.74 KDM4E (0.48) ALDH1A1HSD17B10HPGDLMNAKDM4E

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 2817/4885HSD17B10 3382/4885HPGD 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.