SCHEMBL234083

SCHEMBL234083

COC(=O)Cc1csc(NC(=O)C(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.57
TP53 P04637 2/20 0.56
RAB9A P51151 2/20 0.56
POLB P06746 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.56
HPGD P15428 1/20 0.56
LMNA P02545 1/20 0.54
ALDH1A1 P00352 3/20 0.52
GAA P10253 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL2753912 0.90 LMNA (0.69) TP53RAB9APOLBSMN1; SMN2NPC1
SCHEMBL2648681 0.78 GCK (0.53) PDE5ASMN1; SMN2ALDH1A1
SCHEMBL2753658 0.78 POLB (0.71) TP53RAB9APOLBSMN1; SMN2NPC1
SCHEMBL4968797 0.77 SMN1; SMN2 (0.65) TP53RAB9APOLBSMN1; SMN2NPC1
SCHEMBL10349418 0.77 TP53 (0.56) TP53RAB9APOLBSMN1; SMN2NPC1
SCHEMBL2390027 0.77 PDE5A (0.72) PDE5ATP53RAB9APOLBSMN1; SMN2
SCHEMBL7299471 0.77 MME (0.52) PDE5ATP53RAB9APOLBSMN1; SMN2
SCHEMBL2648614 0.77 GCK (0.49) PDE5ARAB9ASMN1; SMN2NPC1LMNA
SCHEMBL7301238 0.76 RAB9A (0.54) TP53RAB9APOLBSMN1; SMN2NPC1
SCHEMBL2786880 0.76 TP53 (0.59) TP53RAB9APOLBSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160228414-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2016-08-11 US disclosed
US-9249131-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-02-02 US disclosed
US-20150025076-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-01-22 US disclosed
US-8853415-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-07 US disclosed
US-20140072995-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-13 US disclosed
US-8431605-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-04-30 US disclosed
US-20120004216-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-05 US disclosed
US-7973169-B2 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), such as N-(4,5-Diphenyl-thiazol-2-yl)-benzamide, used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-05 US disclosed
EP-1664006-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2006-06-07 EP disclosed
US-20050176789-A1 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2005-08-11 US disclosed
WO-2005026137-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-03-24 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-20050176789-A1 Modulators of ATP-Binding Cassette transporters CFTR, ABCB1, ABCF1 PDE5A 2038/4885TP53 2956/4885RAB9A 2028/4885
US-20160228414-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCF1 PDE5A 2038/4885TP53 2956/4885RAB9A 2028/4885
US-20120004216-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCF1 PDE5A 2038/4885TP53 2956/4885RAB9A 2028/4885
US-20150025076-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCF1 PDE5A 2008/4885TP53 2969/4885RAB9A 2038/4885

“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.