SCHEMBL235980

SCHEMBL235980

COc1ncccc1Cc1cnc(N)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EPHX2 P34913 1/20 0.43
TSHR P16473 1/20 0.42
MAOA P21397 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
KDM1A O60341 5/20 0.37
SLC13A5 Q86YT5 1/20 0.37
MAOB P27338 1/20 0.37
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL2203168 1.00 POLB (0.54) POLBALDH1A1MAPTTHRBHTT
SCHEMBL5743327 0.81 SLC13A5 (0.42) POLBMAOAKDM1ASLC13A5MAOB
SCHEMBL234215 0.79 POLB (0.56) POLBALDH1A1MAPTTHRBHTT
SCHEMBL16406391 0.78 EPHX2 (0.50) POLBALDH1A1MAPTTHRBHTT
SCHEMBL12510017 0.77 POLB (0.54) POLBALDH1A1MAPTTHRBHTT
SCHEMBL6378783 0.76 RAB9A (0.44) ALDH1A1MAPTHTTHSD17B10L3MBTL1
SCHEMBL4006441 0.74 EPHX2 (0.43) POLBALDH1A1MAPTTHRBHTT
SCHEMBL16061555 0.74 POLB (0.54) POLBALDH1A1MAPTTHRBHTT
SCHEMBL6376093 0.72 KDM1A (0.50) MAOAKDM1ASLC13A5MAOBCYP3A4
SCHEMBL29442802 0.71 POLB (0.69) POLBALDH1A1MAPTTHRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3219709-B1 INTERMEDIATE COMPOUND OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-03-18 EP disclosed
EP-3219709-A1 INTERMEDIATE COMPOUND OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-20 EP disclosed
EP-3219709-A1 INTERMEDIATE COMPOUND OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-20 EP disclosed
EP-1716122-B1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2017-04-19 EP disclosed
EP-1716122-B1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2017-04-19 EP disclosed
US-9550761-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-01-24 US disclosed
US-9550761-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-01-24 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-20160228414-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2016-08-11 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-20080176899-A1 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-07-24 US disclosed
US-20080176899-A1 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-07-24 US disclosed
EP-1716122-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2006-11-02 EP disclosed
EP-1664006-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2006-06-07 EP disclosed
US-20060052358-A1 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 2006-03-09 US disclosed
WO-2005075435-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-08-18 WO 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 1440/4885ALDH1A1 2247/4885MAPT 4106/4885
US-20080176899-A1 Modulators of ATP-Binding Cassette transporters CFTR, ABCB1, ABCC2 POLB 1617/4885ALDH1A1 1892/4885MAPT 4347/4885
US-20160228414-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCF1 POLB 1440/4885ALDH1A1 2247/4885MAPT 4106/4885
US-20060052358-A1 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 CFTR, ABCC2, ABCC4 POLB 2903/4885ALDH1A1 1588/4885MAPT 4797/4885

“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.