SCHEMBL7549909

SCHEMBL7549909

CCN(CC)CCN(CCN(CC)CC)c1cccc(-c2nc3ccccc3n2C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 6/20 0.49
MAPT P10636 5/20 0.49
PKM P14618 4/20 0.49
NPC1 O15118 4/20 0.49
HSD17B10 Q99714 4/20 0.49
TP53 P04637 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
GFER P55789 1/20 0.49
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ATM Q13315 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HCRTR1 O43613 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46

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) ALDH1A1KDM4EMAPTPKMNPC1
SCHEMBL8563280 0.87 KDM4E (0.39) ALDH1A1KDM4EMAPTPKMNPC1
SCHEMBL7155256 0.86 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTPKMNPC1
SCHEMBL7155399 0.86 NPC1 (0.60) ALDH1A1KDM4EMAPTPKMNPC1
SCHEMBL7153692 0.86 NPC1 (0.48) ALDH1A1KDM4EMAPTPKMNPC1
SCHEMBL7155417 0.85 HDAC1 (0.48) ALDH1A1KDM4EMAPTPKMHSD17B10
SCHEMBL7153631 0.83 KDM4E (0.38) ALDH1A1KDM4EMAPTPKMNPC1
SCHEMBL7156596 0.83 BACE1 (0.38) ALDH1A1KDM4EMAPTPKMNPC1
SCHEMBL7153663 0.81 NPC1 (0.50) ALDH1A1KDM4EMAPTPKMNPC1
SCHEMBL8518781 0.80 NPC1 (0.52) ALDH1A1KDM4EMAPTNPC1HSD17B10

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
US-6348487-B1 ANTIINFLAMMATORY AGENTS, ATHEROSCLEROSIS, RESTINOSIS AND IMMUNE DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2002-02-19 US disclosed
US-6184235-B1 MONOCYTE CHEMOATTRACTANT PROTEIN-1 (MCP-1) ANTAGONIST FOR TREATMENT OF INFLAMMATORY DISEASES, ATHEROSCLEROSIS, RESTENOSIS, AUTOIMMUNE DISEASES, ORGAN TRANSPLANT REJECTION IN MAMMALS WARNER-LAMBERT COMPANY 2001-02-06 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 2846/4885MAPT 4486/4885

“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.