SCHEMBL396194

SCHEMBL396194

Cc1ccc(-c2ccccc2N)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HSD17B10 Q99714 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.48
CYP3A4 P08684 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 1/20 0.46
HTR7 P34969 1/20 0.46
DHFR P00374 1/20 0.45
MAPT P10636 3/20 0.44
NPC1 O15118 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
GLA P06280 1/20 0.44
RAB9A P51151 1/20 0.44
CHEK1 O14757 1/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
CTSD P07339 1/20 0.41

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
SCHEMBL3802241 0.88 ALDH1A1 (0.52) ALDH1A1HSD17B10L3MBTL1CYP3A4TDP1
SCHEMBL3789866 0.88 ALDH1A1 (0.64) ALDH1A1HSD17B10L3MBTL1CYP3A4TDP1
SCHEMBL394650 0.82 ALOX5AP (0.48) ALDH1A1HSD17B10L3MBTL1CYP3A4TDP1
SCHEMBL8098489 0.82 CYP3A4 (0.48) ALDH1A1HSD17B10L3MBTL1CYP3A4TDP1
SCHEMBL5414116 0.82 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP3A4TDP1TSHR
SCHEMBL18504313 0.81 ALDH1A1 (0.54) ALDH1A1HSD17B10L3MBTL1CYP3A4TDP1
SCHEMBL10987129 0.81 ALDH1A1 (0.54) ALDH1A1HSD17B10L3MBTL1CYP3A4TDP1
SCHEMBL9419202 0.80 HTR7 (0.50) ALDH1A1CYP3A4TSHRHTR7NPC1
SCHEMBL3364762 0.80 ALDH1A1 (0.44) ALDH1A1HSD17B10L3MBTL1CYP3A4TDP1
SCHEMBL16621245 0.80 KIT (0.49) ALDH1A1HSD17B10CYP3A4TDP1TSHR

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
US-20080194835-A1 Methods for the Manufacture of Biphenyl Amines BAYER GROPSCIENCE AG (DE) 2008-08-14 US 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-0771809-B1 Method of manufacturing a polysiloxane charge transporting material DOW CORNING ASIA LTD (JP) 2003-04-02 EP disclosed
US-5840816-A Method of manufacturing a polysiloxane charge transporting material DOW CORNING TORAY SILICONE CO., LTD. (JP) 1998-11-24 US disclosed
EP-0771809-A1 Method of manufacturing a polysiloxane charge transporting material DOW CORNING ASIA, Ltd. (JP) 1997-05-07 EP 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 (10 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 2165/4885HSD17B10 1468/4885L3MBTL1 3552/4885
US-20080194835-A1 Methods for the Manufacture of Biphenyl Amines DDT, AADAC, CYP1B1 ALDH1A1 343/4885HSD17B10 846/4885L3MBTL1 2905/4885
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885HSD17B10 1468/4885L3MBTL1 3552/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885HSD17B10 1468/4885L3MBTL1 3552/4885
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885HSD17B10 1468/4885L3MBTL1 3552/4885
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885HSD17B10 1468/4885L3MBTL1 3552/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 ALDH1A1 2535/4885HSD17B10 1248/4885L3MBTL1 4609/4885
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885HSD17B10 1468/4885L3MBTL1 3552/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 ALDH1A1 2651/4885HSD17B10 1678/4885L3MBTL1 3929/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 ALDH1A1 2221/4885HSD17B10 1602/4885L3MBTL1 3693/4885

“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.