SCHEMBL398627

SCHEMBL398627

CSc1ccccc1-c1ccccc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
KDM4E B2RXH2 7/20 0.47
LMNA P02545 3/20 0.47
RXFP1 Q9HBX9 3/20 0.47
MAPT P10636 4/20 0.46
NPSR1 Q6W5P4 4/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
APOBEC3G Q9HC16 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
RAB9A P51151 5/20 0.46
HPGD P15428 4/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
HSD17B10 Q99714 1/20 0.44
IDO1 P14902 2/20 0.43
NPC1 O15118 4/20 0.42
NISCH Q9Y2I1 1/20 0.42

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
SCHEMBL3789587 0.85 ALDH1A1 (0.52) ALDH1A1L3MBTL1KDM4ELMNARXFP1
SCHEMBL5890646 0.85 KDM4E (0.52) ALDH1A1KDM4ELMNARXFP1MAPT
SCHEMBL31087243 0.85 KDM4E (0.52) ALDH1A1KDM4ELMNARXFP1MAPT
SCHEMBL3789737 0.82 ALDH1A1 (0.48) ALDH1A1L3MBTL1KDM4ELMNARXFP1
SCHEMBL3792747 0.82 ALDH1A1 (0.48) ALDH1A1L3MBTL1KDM4ELMNARXFP1
SCHEMBL25006605 0.82 ALOX5AP (0.40) ALDH1A1L3MBTL1KDM4ELMNARXFP1
SCHEMBL6011505 0.82 ALDH1A1 (0.41) ALDH1A1L3MBTL1KDM4ELMNARXFP1
SCHEMBL25006597 0.82 IDO1 (0.41) ALDH1A1L3MBTL1KDM4ELMNARXFP1
SCHEMBL1269991 0.81 ALDH1A1 (0.65) ALDH1A1L3MBTL1KDM4EMAPTNPSR1
SCHEMBL5047311 0.81 ALDH1A1 (0.46) ALDH1A1L3MBTL1KDM4ELMNARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
EP-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 EP disclosed
EP-2502911-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2017-04-05 EP disclosed
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-03 US disclosed
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-11-05 US disclosed
US-20150293078-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED 2015-10-15 US disclosed
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2015-08-20 US disclosed
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-03 US disclosed
US-20090246820-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED 2009-10-01 US disclosed
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-10 US disclosed
US-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed
EP-0783486-B1 NOVEL PROSTAGLANDIN SYNTHASE INHIBITORS DU PONT PHARM CO (US) 1999-10-13 EP disclosed
EP-0783486-A1 NOVEL PROSTAGLANDIN SYNTHASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-07-16 EP disclosed
US-5593994-A ANTIINFLAMMATORY AGENTS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-01-14 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 (9 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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885L3MBTL1 3552/4885KDM4E 4262/4885
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885L3MBTL1 3552/4885KDM4E 4262/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885L3MBTL1 3552/4885KDM4E 4262/4885
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885L3MBTL1 3552/4885KDM4E 4262/4885
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885L3MBTL1 3552/4885KDM4E 4262/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 ALDH1A1 2535/4885L3MBTL1 4609/4885KDM4E 4481/4885
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885L3MBTL1 3552/4885KDM4E 4262/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 ALDH1A1 2651/4885L3MBTL1 3929/4885KDM4E 4552/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 ALDH1A1 2221/4885L3MBTL1 3693/4885KDM4E 4649/4885

“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.