SCHEMBL7159607

SCHEMBL7159607

CCN(CC)CCN(CCN(CC)CC)c1ccc(-c2nc3cnccc3n2C)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.80
TP53 P04637 4/20 0.80
RAB9A P51151 4/20 0.80
MAPT P10636 3/20 0.80
SMN1; SMN2 Q16637 3/20 0.80
KDM4E B2RXH2 3/20 0.80
ALDH1A1 P00352 3/20 0.80
HSD17B10 Q99714 3/20 0.80
LMNA P02545 2/20 0.80
HPGD P15428 2/20 0.80
ATM Q13315 1/20 0.56
CASP1 P29466 1/20 0.45
PKM P14618 2/20 0.43
HTT P42858 2/20 0.43
GFER P55789 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RPS6KA5 O75582 8/20 0.42
POLB P06746 1/20 0.42
DRD2 P14416 2/20 0.36

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
SCHEMBL8520141 0.92 NPC1 (0.67) NPC1TP53RAB9AMAPTSMN1; SMN2
SCHEMBL7154096 0.91 NPC1 (0.65) NPC1TP53RAB9AMAPTSMN1; SMN2
SCHEMBL7555014 0.87 KDM4E (0.60) NPC1TP53RAB9AMAPTSMN1; SMN2
SCHEMBL7155399 0.86 NPC1 (0.60) NPC1TP53RAB9AMAPTSMN1; SMN2
SCHEMBL7156031 0.85 MAPT (0.58) NPC1TP53RAB9AMAPTSMN1; SMN2
SCHEMBL7155256 0.84 ALDH1A1 (0.63) NPC1TP53RAB9AMAPTSMN1; SMN2
SCHEMBL8520137 0.82 NPC1 (0.56) NPC1TP53RAB9AMAPTSMN1; SMN2
SCHEMBL7548704 0.80 HSD17B10 (0.51) NPC1TP53RAB9AMAPTSMN1; SMN2
SCHEMBL7554486 0.80 KDM4E (0.51) NPC1TP53RAB9AMAPTSMN1; SMN2
SCHEMBL8518781 0.80 NPC1 (0.52) NPC1TP53RAB9AMAPTSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6534521-B2 Useful in the treatment of inflammation, atherosclerosis, restenosis, and immune disorders such as arthritis and transplant rejection MILLENNIUM PHARMACEUTICALS, INC. 2003-03-18 US disclosed
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 NPC1 385/4885TP53 3756/4885RAB9A 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.