SCHEMBL3201152

SCHEMBL3201152

Cc1ccc(NC(=O)Nc2cccc(CN3CCN(S(C)(=O)=O)CC3)c2F)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 2/20 0.44
ALOX15 P16050 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PIK3CA P42336 4/20 0.43
PIK3CD O00329 1/20 0.43
PIK3R1 P27986 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
RORC P51449 1/20 0.42
DHODH Q02127 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPK8 P45983 3/20 0.42
MAPK10 P53779 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CCR3 P51677 2/20 0.40
MTOR P42345 2/20 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
SCHEMBL4000775 0.93 NPC1 (0.48) NPC1RAB9ASMN1; SMN2HTTALOX15
SCHEMBL3196716 0.92 NPC1 (0.53) NPC1RAB9ASMN1; SMN2HTTALOX15
SCHEMBL4236163 0.91 NPC1 (0.45) NPC1RAB9ASMN1; SMN2HTTALOX15
SCHEMBL3204621 0.90 NPC1 (0.44) NPC1RAB9ASMN1; SMN2HTTALOX15
SCHEMBL16199261 0.90 NPC1 (0.44) NPC1RAB9ASMN1; SMN2HTTALOX15
SCHEMBL3210259 0.90 RORC (0.45) NPC1RAB9ASMN1; SMN2RORCDHODH
SCHEMBL4235546 0.90 NPC1 (0.44) NPC1RAB9ASMN1; SMN2HTTALOX15
SCHEMBL400950 0.90 NPC1 (0.47) NPC1RAB9ASMN1; SMN2HTTALOX15
SCHEMBL3196692 0.89 KDM4E (0.47) NPC1RAB9ASMN1; SMN2HTTALOX15
SCHEMBL3210175 0.89 NAMPT (0.45) NPC1RAB9ASMN1; SMN2PIK3CARORC

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2009-10-01 US claimed
EP-1959947-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP claimed
US-20070197505-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US claimed
WO-2007075377-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-07-05 WO claimed
US-8871768-B2 Certain chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2014-10-28 US disclosed
US-8871768-B2 Certain chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2014-10-28 US disclosed
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2013-12-05 US disclosed
US-8445495-B2 Certain Chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2013-05-21 US disclosed
US-8445495-B2 Certain Chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2013-05-21 US disclosed
US-8445495-B2 Certain Chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2013-05-21 US disclosed
EP-1959960-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2013-04-10 EP disclosed
EP-1959960-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2013-04-10 EP disclosed
EP-1959960-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
US-20070197505-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US disclosed
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 US disclosed
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 US disclosed
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 US disclosed
WO-2007075377-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-07-05 WO disclosed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 WO disclosed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 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 (4 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-20070161617-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 NPC1 4691/4885RAB9A 3170/4885SMN1; SMN2 1596/4885
US-20070197505-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 NPC1 4826/4885RAB9A 3510/4885SMN1; SMN2 40/4885
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNI3, TNNT2, MYLK2 NPC1 4691/4885RAB9A 3170/4885SMN1; SMN2 1596/4885
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 NPC1 4826/4885RAB9A 3510/4885SMN1; SMN2 40/4885

“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.