SCHEMBL7548704

SCHEMBL7548704

CCN(CC)CCN(CCN(CC)CC)c1ccc(-c2nc3cncnc3n2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 9/20 0.51
ALDH1A1 P00352 8/20 0.51
HPGD P15428 3/20 0.51
KDM4E B2RXH2 2/20 0.51
NPC1 O15118 2/20 0.51
LMNA P02545 2/20 0.51
TP53 P04637 2/20 0.51
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 13/20 0.41
CYP3A4 P08684 11/20 0.41
USP2 O75604 6/20 0.41
TSHR P16473 7/20 0.40
CLK4 Q9HAZ1 4/20 0.39
CYP2C9 P11712 5/20 0.37
CYP2C19 P33261 3/20 0.37
DRD2 P14416 5/20 0.36
DRD3 P35462 5/20 0.36
PKM P14618 1/20 0.34

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
SCHEMBL7550218 0.87 ALDH1A1 (0.42) HSD17B10ALDH1A1HPGDKDM4ENPC1
SCHEMBL7159220 0.87 CYP1A2 (0.44) HSD17B10ALDH1A1HPGDKDM4ENPC1
SCHEMBL7660693 0.84 HSD17B10 (0.40) HSD17B10ALDH1A1HPGDKDM4ENPC1
SCHEMBL7157946 0.81 KDM4E (0.48) HSD17B10ALDH1A1HPGDKDM4ENPC1
SCHEMBL7159607 0.80 NPC1 (0.80) HSD17B10ALDH1A1HPGDKDM4ENPC1
SCHEMBL7155344 0.80 CYP1A2 (0.40) HSD17B10ALDH1A1NPC1LMNARAB9A
SCHEMBL7154096 0.78 NPC1 (0.65) HSD17B10ALDH1A1HPGDKDM4ENPC1
SCHEMBL7155256 0.76 ALDH1A1 (0.63) HSD17B10ALDH1A1HPGDKDM4ENPC1
SCHEMBL7551302 0.75 CYP1A2 (0.39) HSD17B10ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL9611672 0.74 CYP1A2 (0.65) HSD17B10ALDH1A1HPGDLMNACYP1A2

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 HSD17B10 3382/4885ALDH1A1 2817/4885HPGD 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.