SCHEMBL233270

SCHEMBL233270

Cc1ccc(C(=O)Nc2ncc(C)s2)cc1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.75
RAB9A P51151 15/20 0.69
NPC1 O15118 14/20 0.69
KMT2A Q03164 5/20 0.69
MEN1 O00255 3/20 0.69
POLB P06746 1/20 0.69
PKM P14618 4/20 0.66
PAX8 Q06710 1/20 0.61
ALDH1A1 P00352 4/20 0.60
LMNA P02545 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL10253092 0.88 SMN1; SMN2 (0.71) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL4290502 0.88 SMN1; SMN2 (0.71) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL16594526 0.88 SMN1; SMN2 (0.71) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL1270133 0.87 SMN1; SMN2 (0.75) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL2629279 0.86 SMN1; SMN2 (1.00) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL16594522 0.85 SMN1; SMN2 (0.68) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL16607118 0.85 SMN1; SMN2 (0.68) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL8557237 0.84 SMN1; SMN2 (0.71) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL12742436 0.84 SMN1; SMN2 (0.66) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL23742121 0.84 SMN1; SMN2 (0.66) SMN1; SMN2RAB9ANPC1KMT2AMEN1

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 20 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-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-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-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-8853415-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-07 US disclosed
US-8741939-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-03 US disclosed
US-20140072995-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-13 US disclosed
US-20140072995-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-13 US disclosed
US-20130252333-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED 2013-09-26 US disclosed
US-8431605-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-04-30 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-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
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
CN-1898221-A Modulators of atp-binding cassette transporters VERTEX PHARMA (US) 2007-01-17 CN disclosed
US-20050176789-A1 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2005-08-11 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 (5 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 SMN1; SMN2 4815/4885RAB9A 2028/4885NPC1 23/4885
US-20130252333-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCF1 SMN1; SMN2 4815/4885RAB9A 2028/4885NPC1 23/4885
US-20160228414-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCF1 SMN1; SMN2 4815/4885RAB9A 2028/4885NPC1 23/4885
US-20120004216-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCF1 SMN1; SMN2 4815/4885RAB9A 2028/4885NPC1 23/4885
US-20150025076-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCF1 SMN1; SMN2 4815/4885RAB9A 2038/4885NPC1 24/4885

“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.