SCHEMBL400327

SCHEMBL400327

Nc1ccccc1-c1cc(F)cc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
HSD17B10 Q99714 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.52
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
DHFR P00374 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
BRD4 O60885 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
GAA P10253 2/20 0.36
GRM5 P41594 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 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
SCHEMBL3787036 0.90 ALDH1A1 (0.50) ALDH1A1HSD17B10L3MBTL1ALOX5APFEN1
SCHEMBL5671941 0.83 ALDH1A1 (0.70) ALDH1A1HSD17B10L3MBTL1ALOX5APFEN1
SCHEMBL29520503 0.83 ALDH1A1 (0.70) ALDH1A1HSD17B10L3MBTL1ALOX5APFEN1
SCHEMBL28460183 0.83 TAAR1 (0.39) ALDH1A1HSD17B10L3MBTL1CYP3A4BRD4
SCHEMBL29414649 0.83 TAAR1 (0.39) ALDH1A1HSD17B10L3MBTL1CYP3A4BRD4
SCHEMBL397893 0.83 ALDH1A1 (0.58) ALDH1A1HSD17B10L3MBTL1ALOX5APFEN1
Hydrochloric Acid SCHEMBL9312308 0.81 ALDH1A1 (0.56) ALDH1A1HSD17B10L3MBTL1ALOX5APFEN1
SCHEMBL977502 0.80 ALDH1A1 (0.54) ALDH1A1HSD17B10L3MBTL1ALOX5APFEN1
SCHEMBL397275 0.79 ALDH1A1 (0.65) ALDH1A1HSD17B10L3MBTL1ALOX5APFEN1
Hydrochloric Acid SCHEMBL6518467 0.78 ALDH1A1 (0.52) ALDH1A1HSD17B10L3MBTL1ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090011935-A1 Method of Inducing Tolerance of Plants Against Bacterioses BASF SE (DE) 2009-01-08 US claimed
EP-1996018-A2 METHOD OF INDUCING TOLERANCE OF PLANTS AGAINST BACTERIOSES BASF SE (DE) 2008-12-03 EP claimed
WO-2007104658-A2 METHOD OF INDUCING TOLERANCE OF PLANTS AGAINST BACTERIOSES BASF SE (DE) 2007-09-20 WO claimed
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
WO-2009124920-A2 EMULSIFIABLE CONCENTRATE BASF SE (DE) 2009-10-15 WO 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-20090011935-A1 Method of Inducing Tolerance of Plants Against Bacterioses BASF SE (DE) 2009-01-08 US disclosed
EP-1996018-A2 METHOD OF INDUCING TOLERANCE OF PLANTS AGAINST BACTERIOSES BASF SE (DE) 2008-12-03 EP disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
WO-2007104658-A2 METHOD OF INDUCING TOLERANCE OF PLANTS AGAINST BACTERIOSES BASF SE (DE) 2007-09-20 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20090011935-A1 Method of Inducing Tolerance of Plants Against Bacterioses BROX, CAT, SLC11A2 ALDH1A1 2207/4885HSD17B10 2379/4885L3MBTL1 417/4885
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-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885HSD17B10 1468/4885L3MBTL1 3552/4885
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.