SCHEMBL399629

SCHEMBL399629

Nc1ccccc1-c1ccc(F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
FEN1 P39748 3/20 0.44
ALOX5AP P20292 2/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
GPR3 P46089 1/20 0.42
HSD17B10 Q99714 1/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
IDO1 P14902 2/20 0.38
AGXT P21549 2/20 0.38
NFE2L2 Q16236 1/20 0.38
KCNN4 O15554 1/20 0.38
MAPK14 Q16539 1/20 0.38
HDAC1 Q13547 1/20 0.38
TP53 P04637 1/20 0.37
MDM2 Q00987 1/20 0.37

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
SCHEMBL3787706 0.87 ALDH1A1 (0.59) ALDH1A1L3MBTL1FEN1ALOX5APGPR3
SCHEMBL21464118 0.84 ALDH1A1 (0.48) ALDH1A1L3MBTL1FEN1ALOX5APGPR3
SCHEMBL28453346 0.84 ALDH1A1 (0.48) ALDH1A1L3MBTL1FEN1ALOX5APPDE3B
SCHEMBL400394 0.83 ALDH1A1 (0.54) ALDH1A1L3MBTL1FEN1ALOX5APGPR3
SCHEMBL3791385 0.83 ALDH1A1 (0.54) ALDH1A1L3MBTL1FEN1ALOX5APPDE3B
SCHEMBL3787023 0.83 ALDH1A1 (0.59) ALDH1A1L3MBTL1GPR3HSD17B10ADORA2A
SCHEMBL20989248 0.82 NFE2L2 (0.48) ALDH1A1L3MBTL1FEN1ALOX5APGPR3
SCHEMBL3767151 0.80 ALDH1A1 (0.50) ALDH1A1L3MBTL1FEN1ALOX5APPDE3B
SCHEMBL397863 0.80 ALDH1A1 (0.68) ALDH1A1L3MBTL1FEN1ALOX5APPDE3B
SCHEMBL21464154 0.79 ALDH1A1 (0.52) ALDH1A1FEN1ALOX5APADORA2AADORA1

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 69 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
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
WO-2008129060-A2 PLANT PRODUTIVITY ENHANCEMENT BY COMBINING CHEMICAL AGENTS WITH TRANSGENIC MODIFICATIONS BASF SE (DE) 2008-10-30 WO disclosed
EP-1966142-A2 NEW PHENANTHRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS Richter Gedeon NYRT (HU) 2008-09-10 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
WO-2007072092-A2 NEW PHENANTHRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2007-06-28 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 (7 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 3552/4885FEN1 2888/4885
US-20090011935-A1 Method of Inducing Tolerance of Plants Against Bacterioses BROX, CAT, SLC11A2 ALDH1A1 2207/4885L3MBTL1 417/4885FEN1 1487/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885L3MBTL1 3552/4885FEN1 2888/4885
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885L3MBTL1 3552/4885FEN1 2888/4885
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885L3MBTL1 3552/4885FEN1 2888/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 ALDH1A1 2651/4885L3MBTL1 3929/4885FEN1 3740/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 ALDH1A1 2221/4885L3MBTL1 3693/4885FEN1 3165/4885

“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.