SCHEMBL7500880

SCHEMBL7500880

N=c1scc(-c2ccc(Cl)cc2)n1Cc1ccc(Cl)nc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 2/20 0.50
CHRNA7 P36544 2/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
EGFR P00533 4/20 0.44
TYMS P04818 4/20 0.44
LTA4H P09960 4/20 0.44
VDR P11473 4/20 0.44
SRC P12931 4/20 0.44
MAPK1 P28482 4/20 0.44
CTSK P43235 4/20 0.44
AR P10275 1/20 0.40
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL7503669 0.90 CHRNA7 (0.50) CHRNA1CHRNA7CHRNB2CHRNA4EGFR
SCHEMBL7508741 0.79 CHRNA1 (0.55) CHRNA1CHRNA7CHRNB2CHRNA4AR
SCHEMBL7507181 0.76 CHRNA1 (0.52) CHRNA1CHRNA7CHRNB2CHRNA4AR
SCHEMBL7116775 0.68 CHRNA1 (0.46) CHRNA1CHRNA7CHRNB2CHRNA4GAA
SCHEMBL7503498 0.68 CHRNA1 (0.51) CHRNA1CHRNA7CHRNB2CHRNA4AR
SCHEMBL6358476 0.67 CHRNA1 (0.57) CHRNA1CHRNA7CHRNB2CHRNA4GAA
SCHEMBL7504331 0.67 CHRNB2 (1.00) CHRNA1CHRNA7CHRNB2CHRNA4GAA
SCHEMBL6357618 0.67 CHRNA1 (0.50) CHRNA1CHRNA7CHRNB2CHRNA4MAPK1
SCHEMBL7499966 0.65 GABRA1 (0.39) CHRNA1CHRNA7CHRNB2CHRNA4GAA
SCHEMBL7498186 0.65 CHRNB2 (0.55) CHRNA1CHRNA7CHRNB2CHRNA4GAA

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-20020028809-A1 Heterocyclic compounds having effect of activating a4beta2 nicotinic acetylcholine receptors SUNTORY LIMITED 2002-03-07 US claimed
EP-1176141-A1 HETEROCYCLIC COMPOUNDS HAVING EFFECT OF ACTIVATING NICOTINIC ACETYLCHOLINE $g(a)4$g(b)2 RECEPTOR SUNTORY LIMITED (JP) 2002-01-30 EP claimed
US-20020028809-A1 Heterocyclic compounds having effect of activating a4beta2 nicotinic acetylcholine receptors SUNTORY LIMITED 2002-03-07 US disclosed
EP-1176141-A1 HETEROCYCLIC COMPOUNDS HAVING EFFECT OF ACTIVATING NICOTINIC ACETYLCHOLINE $g(a)4$g(b)2 RECEPTOR SUNTORY LIMITED (JP) 2002-01-30 EP 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-20020028809-A1 Heterocyclic compounds having effect of activating a4beta2 nicotinic acetylcholine receptors CHRNA2, CHRNA7, CHRNB2 CHRNA1 6/4885CHRNA7 2/4885CHRNB2 3/4885

“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.