SCHEMBL4285227

SCHEMBL4285227

Clc1[c]cccc1-c1nc2ccccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.64
RAB9A P51151 12/20 0.64
KDM4E B2RXH2 9/20 0.64
ALDH1A1 P00352 8/20 0.64
GPR55 Q9Y2T6 1/20 0.64
SMN1; SMN2 Q16637 7/20 0.55
HPGD P15428 6/20 0.55
NPSR1 Q6W5P4 4/20 0.55
HSD17B10 Q99714 4/20 0.55
PKM P14618 3/20 0.55
GAA P10253 2/20 0.55
MAPT P10636 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
GLA P06280 1/20 0.55
HTT P42858 1/20 0.55
TP53 P04637 2/20 0.55
ABCB11 O95342 1/20 0.55
CDK1 P06493 1/20 0.54
CDK2 P24941 1/20 0.54
MKNK1 Q9BUB5 1/20 0.54

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
SCHEMBL15771070 0.83 NPC1 (0.57) NPC1RAB9AKDM4EALDH1A1GPR55
SCHEMBL227743 0.79 NPC1 (0.78) NPC1RAB9AKDM4EALDH1A1GPR55
SCHEMBL29695905 0.78 NPC1 (1.00) NPC1RAB9AKDM4EALDH1A1GPR55
SCHEMBL162191 0.78 NPC1 (1.00) NPC1RAB9AKDM4EALDH1A1GPR55
SCHEMBL27935553 0.78 NPC1 (0.55) NPC1RAB9AKDM4EALDH1A1GPR55
SCHEMBL7447520 0.78 AMY1A (0.56) NPC1RAB9AKDM4EALDH1A1GPR55
SCHEMBL9986177 0.76 NPC1 (0.68) NPC1RAB9AKDM4EALDH1A1GPR55
SCHEMBL19960358 0.76 NPC1 (0.87) NPC1RAB9AKDM4EALDH1A1GPR55
SCHEMBL12861190 0.75 NPC1 (0.74) NPC1RAB9AKDM4EALDH1A1GPR55
SCHEMBL4115146 0.75 NPC1 (0.50) NPC1RAB9AKDM4EALDH1A1GPR55

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
EP-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 EP disclosed
US-20090176307-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-07-09 US disclosed
US-7491826-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 US disclosed
US-7399866-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2008-07-15 US disclosed
US-20060241110-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2006-10-26 US disclosed
US-20050159416-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2005-07-21 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 (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-20060241110-A1 Compounds, compositions, and methods TNNI3, TNNT2, TNNC1 NPC1 4584/4885RAB9A 2945/4885KDM4E 2542/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 NPC1 4608/4885RAB9A 2773/4885KDM4E 2421/4885

“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.