SCHEMBL4565323

SCHEMBL4565323

CC(C)(C)c1ccc(-c2cn3cccc(Cl)c3n2)cc1.CCCCCCl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
ALDH1A1 P00352 4/20 0.46
RAB9A P51151 4/20 0.46
KDM4E B2RXH2 3/20 0.46
PKM P14618 1/20 0.46
GNRHR P30968 6/20 0.46
HRH3 Q9Y5N1 7/20 0.45
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A2 O94788 1/20 0.42
ALDH1A3 P47895 1/20 0.42
PPARG P37231 1/20 0.41
TP53 P04637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL4506816 0.89 RAB9A (0.56) NPC1ALDH1A1RAB9AKDM4EPKM
SCHEMBL4489649 0.75 NPC1 (0.52) NPC1ALDH1A1RAB9AKDM4EPKM
SCHEMBL5738406 0.75 ALDH1A1 (0.72) NPC1ALDH1A1RAB9AKDM4EPKM
SCHEMBL24307129 0.73 ALDH1A3 (0.68) NPC1ALDH1A1RAB9AKDM4EPKM
SCHEMBL5739105 0.72 RAB9A (0.68) NPC1ALDH1A1RAB9AKDM4EPKM
SCHEMBL5737395 0.71 PPARG (0.61) NPC1ALDH1A1RAB9AKDM4EPKM
SCHEMBL5739101 0.69 RAB9A (0.52) NPC1ALDH1A1RAB9AKDM4EPKM
SCHEMBL7681948 0.68 HRH3 (0.75) NPC1ALDH1A1RAB9AKDM4EPKM
SCHEMBL21705594 0.68 RAB9A (0.73) NPC1ALDH1A1RAB9AKDM4EGAA
SCHEMBL5738164 0.67 ALDH1A3 (0.51) NPC1ALDH1A1RAB9AKDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582636-B2 Piperazinylimidazopyridine and piperazinyltriazolopyridine antagonists of Gonadotropin Releasing Hormone receptor WYETH (US) 2009-09-01 US disclosed
US-20060270848-A1 Piperazinylimidazopyridine and piperazinyltriazolopyridine antagonists of gonadotropin releasing hormone receptor WYETH (US) 2006-11-30 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-20060270848-A1 Piperazinylimidazopyridine and piperazinyltriazolopyridine antagonists of gonadotropin releasing hormone receptor GNRHR, PRLHR, FSHR NPC1 3818/4885ALDH1A1 4571/4885RAB9A 3912/4885

“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.