SCHEMBL234841

SCHEMBL234841

O=C(Nc1ncc(Cc2ccccc2Cl)s1)C(Br)c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.80
POLB P06746 2/20 0.73
KMT2A Q03164 6/20 0.60
MEN1 O00255 5/20 0.60
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 1/20 0.60
ABL1 P00519 1/20 0.59
MAPT P10636 6/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
LMNA P02545 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
TDP1 Q9NUW8 1/20 0.55
GAA P10253 1/20 0.55
PKM P14618 1/20 0.53

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
SCHEMBL235126 0.89 CFTR (1.00) CFTRPOLBKMT2AMEN1ALDH1A1
SCHEMBL233549 0.86 CFTR (0.78) CFTRPOLBKMT2AMEN1ALDH1A1
SCHEMBL2754066 0.85 CFTR (0.77) CFTRPOLBKMT2AMEN1ALDH1A1
SCHEMBL2754069 0.85 CFTR (0.77) CFTRPOLBKMT2AMEN1ALDH1A1
SCHEMBL233399 0.85 CFTR (0.77) CFTRPOLBKMT2AMEN1ALDH1A1
SCHEMBL2753875 0.85 POLB (0.78) CFTRPOLBKMT2AMEN1ALDH1A1
SCHEMBL2753340 0.85 CFTR (0.77) CFTRPOLBKMT2AMEN1ALDH1A1
SCHEMBL233432 0.85 CFTR (0.77) CFTRPOLBKMT2AMEN1ALDH1A1
SCHEMBL235845 0.84 POLB (0.77) CFTRPOLBKMT2AMEN1ALDH1A1
SCHEMBL2754014 0.83 CFTR (0.74) CFTRPOLBKMT2AMEN1ALDH1A1

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 34 patents — showing the first 20. 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-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-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-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-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-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
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
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 CFTR 1/4885POLB 1440/4885KMT2A 4444/4885
US-20160228414-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCF1 CFTR 1/4885POLB 1440/4885KMT2A 4444/4885
US-20120004216-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCF1 CFTR 1/4885POLB 1440/4885KMT2A 4444/4885
US-20150025076-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCF1 CFTR 1/4885POLB 1494/4885KMT2A 4432/4885

“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.