SCHEMBL235837

SCHEMBL235837

Nc1ncc(Cc2ccc(Cl)cc2)o1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 2/20 0.42
HSP90AB1 P08238 1/20 0.42
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.40
ALOX12 P18054 1/20 0.40
KMT2A Q03164 1/20 0.40
NOTUM Q6P988 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL231040 1.00 POLB (0.45) POLBMAPTALDH1A1HSP90AB1HPGD
SCHEMBL234833 0.83 AOC3 (0.44) ALDH1A1HPGDNPC1KMT2ATSHR
SCHEMBL2754061 0.80 PNMT (0.46) MAPTHPGDNPC1KMT2AKDM4E
SCHEMBL235294 0.80 PNMT (0.46) MAPTHPGDNPC1KMT2AKDM4E
SCHEMBL17244569 0.78 KMT2A (0.43) POLBMAPTALDH1A1HPGDNPC1
SCHEMBL231041 0.76 KMT2A (0.37) POLBMAPTALDH1A1HSP90AB1HPGD
SCHEMBL233496 0.74 PNMT (0.41) POLBTAAR1
SCHEMBL2199821 0.74 PNMT (0.41) POLBTAAR1
SCHEMBL11564618 0.71 HSP90AB1 (0.50) POLBMAPTALDH1A1HSP90AB1TSHR
SCHEMBL12510271 0.70 KMT2A (0.36) POLBHPGDNPC1ALOX12KMT2A

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 35 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-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-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
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 POLB 1440/4885MAPT 4106/4885ALDH1A1 2247/4885
US-20160228414-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCF1 POLB 1440/4885MAPT 4106/4885ALDH1A1 2247/4885
US-20120004216-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCF1 POLB 1440/4885MAPT 4106/4885ALDH1A1 2247/4885
US-20150025076-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCF1 POLB 1494/4885MAPT 4100/4885ALDH1A1 2234/4885

“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.