SCHEMBL7120556

SCHEMBL7120556

N=c1sccn1CCc1cnc(Cl)s1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.47
CHRNA4 P43681 5/20 0.47
CHRNA1 P02708 1/20 0.47
CHRNA7 P36544 1/20 0.47
INMT O95050 2/20 0.34
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
RECQL P46063 1/20 0.31

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
SCHEMBL7123376 0.74 CHRNB2 (0.74) CHRNB2CHRNA4CHRNA1CHRNA7KMT2A
SCHEMBL6637544 0.71 TLR8 (0.45) KMT2AALDH1A1LMNAGAACYP1A2
SCHEMBL1274373 0.66
SCHEMBL23749731 0.66 KMT2A (0.47) CHRNB2CHRNA4CHRNA1CHRNA7INMT
SCHEMBL28901989 0.65
SCHEMBL7504331 0.64 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA1CHRNA7KMT2A
SCHEMBL27660061 0.63
SCHEMBL10181850 0.63
SCHEMBL16846317 0.61 ALDH1A1 (0.51) KMT2AALDH1A1LMNAGAACYP1A2
SCHEMBL7498474 0.61 LMNA (0.42) KMT2AALDH1A1LMNAGAACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030134848-A1 Substituted 1-aza-2-imino-heterocycles and their use as nicotinic acetylcholin receptors activators DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-07-17 US claimed
EP-1185521-A1 SUBSTITUTED 1-AZA-2-IMINO-HETEROCYCLES AND THEIR USE AS ACTIVATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS SUNTORY LIMITED (JP) 2002-03-13 EP claimed
WO-2001081326-A1 SUBSTITUTED 1-AZA-2-IMINO-HETEROCYCLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTORS ACTIVATORS SUNTORY LIMITED (JP) 2001-11-01 WO claimed
US-20030134848-A1 Substituted 1-aza-2-imino-heterocycles and their use as nicotinic acetylcholin receptors activators DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-07-17 US disclosed
EP-1185521-A1 SUBSTITUTED 1-AZA-2-IMINO-HETEROCYCLES AND THEIR USE AS ACTIVATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS SUNTORY LIMITED (JP) 2002-03-13 EP disclosed
WO-2001081326-A1 SUBSTITUTED 1-AZA-2-IMINO-HETEROCYCLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTORS ACTIVATORS SUNTORY LIMITED (JP) 2001-11-01 WO 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-20030134848-A1 Substituted 1-aza-2-imino-heterocycles and their use as nicotinic acetylcholin receptors activators CHRNA7, CHRNA2, CHRNA1 CHRNB2 4/4885CHRNA4 11/4885CHRNA1 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.