SCHEMBL6357618

SCHEMBL6357618

N=c1sc2ccccc2n1Cc1ccc(Cl)nc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 2/20 0.50
CHRNA7 P36544 2/20 0.50
KMT2A Q03164 2/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HCRTR2 O43614 1/20 0.45
GAA P10253 2/20 0.43
MAPT P10636 1/20 0.43
TP53 P04637 1/20 0.43
GRM2 Q14416 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL9161101 0.82 L3MBTL1 (0.65) KDM4EPKML3MBTL1GAATP53
Bromide SCHEMBL20547058 0.81 L3MBTL1 (0.63) KMT2AKDM4EPKML3MBTL1GAA
Hydrochloric Acid SCHEMBL3864430 0.81 L3MBTL1 (0.63) KDM4EPKML3MBTL1GAATP53
Hydrochloric Acid SCHEMBL3865462 0.78 SMN1; SMN2 (0.49) KMT2AKDM4EPKML3MBTL1HCRTR2
SCHEMBL7503498 0.76 CHRNA1 (0.51) CHRNA1CHRNA7CHRNB2CHRNA4L3MBTL1
SCHEMBL7503669 0.72 CHRNA7 (0.50) CHRNA1CHRNA7KMT2ACHRNB2CHRNA4
SCHEMBL2502460 0.71 HCRTR2 (0.52) KMT2AL3MBTL1HCRTR2MAPTTP53
SCHEMBL7508741 0.70 CHRNA1 (0.55) CHRNA1CHRNA7CHRNB2CHRNA4L3MBTL1
SCHEMBL23241766 0.70 HCRTR2 (0.61) KMT2AKDM4EHCRTR2MAPTSMN1; SMN2
SCHEMBL7506895 0.69 CHRNA7 (0.53) CHRNA1CHRNA7KMT2ACHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC 2005-11-10 US claimed
US-20030134844-A1 Nicontinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC. 2003-07-17 US claimed
EP-0857725-B1 (N-(pyridinylmethyl)-heterocyclic)-ylideneamine compounds as nicotinic acetylcholine receptor binding agents PFIZER (US) 2001-07-25 EP claimed
US-6020335-A (N-(pyridinylmethyl)-heterocyclic)ylideneamine compounds as nicotinic acetylcholine receptor binding agents PFIZER INC (US) 2000-02-01 US claimed
EP-0857725-A1 (N-(pyridinylmethyl)-heterocyclic)-ylideneamine compounds as nicotinic acetylcholine receptor binding agents PFIZER INC. (US) 1998-08-12 EP claimed
US-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC 2005-11-10 US disclosed
EP-1439836-A1 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS IN THE TREATMENT OF RESTLESS LEGS SYNDROME Pfizer Products Inc. (US) 2004-07-28 EP disclosed
US-20030134844-A1 Nicontinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC. 2003-07-17 US disclosed
WO-2003037329-A1 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS IN THE TREATMENT OF RESTLESS LEGS SYNDROME PFIZER PRODUCTS INC. (US) 2003-05-08 WO disclosed
EP-0857725-B1 (N-(pyridinylmethyl)-heterocyclic)-ylideneamine compounds as nicotinic acetylcholine receptor binding agents PFIZER (US) 2001-07-25 EP disclosed
US-6020335-A (N-(pyridinylmethyl)-heterocyclic)ylideneamine compounds as nicotinic acetylcholine receptor binding agents PFIZER INC (US) 2000-02-01 US disclosed
EP-0857725-A1 (N-(pyridinylmethyl)-heterocyclic)-ylideneamine compounds as nicotinic acetylcholine receptor binding agents PFIZER INC. (US) 1998-08-12 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 (2 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-20030134844-A1 Nicontinic acetylcholine receptor antagonists in the treatment of restless legs syndrome CHRNA5, CHRNA1, CHRNA7 CHRNA1 2/4885CHRNA7 3/4885KMT2A 953/4885
US-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome CHRNA5, CHRNA1, CHRNA2 CHRNA1 2/4885CHRNA7 5/4885KMT2A 620/4885

“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.