SCHEMBL395258

SCHEMBL395258

Nc1ccccc1-c1ccoc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
HSD17B10 Q99714 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.50
IMPDH2 P12268 2/20 0.46
ADORA2A P29274 2/20 0.42
ADORA1 P30542 1/20 0.39
HDAC2 Q92769 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CYP3A4 P08684 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL15365502 0.83 IMPDH2 (0.40) ALDH1A1HSD17B10L3MBTL1IMPDH2ADORA2A
SCHEMBL2008440 0.82 HDAC2 (0.37) ALDH1A1HSD17B10L3MBTL1IMPDH2ADORA2A
SCHEMBL5781695 0.77 IMPDH2 (0.48) ALDH1A1HSD17B10IMPDH2ADORA2AADORA1
SCHEMBL2414595 0.76 ADORA2A (0.49) ALDH1A1HSD17B10L3MBTL1IMPDH2ADORA2A
SCHEMBL6873485 0.75 CSNK2A1 (0.44) ALDH1A1HSD17B10IMPDH2ADORA2AHDAC2
SCHEMBL7453950 0.75 CSNK2A1 (0.40) ALDH1A1HSD17B10IMPDH2ADORA2AHDAC2
SCHEMBL26259973 0.75 IMPDH2 (0.55) ALDH1A1HSD17B10IMPDH2ADORA2ACSNK2A1
SCHEMBL26259960 0.75 IMPDH2 (0.60) ALDH1A1HSD17B10IMPDH2ADORA2ACSNK2A1
SCHEMBL28749556 0.74 ALDH1A1 (0.54) ALDH1A1HSD17B10L3MBTL1IMPDH2ADORA2A
SCHEMBL2558874 0.74 IMPDH2 (0.46) ALDH1A1HSD17B10L3MBTL1IMPDH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807406-A2 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-18 EP claimed
WO-2006047503-A2 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA (BE) 2006-05-04 WO claimed
US-20050113566-A1 Inhibitors of C-FMS kinase JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-26 US 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-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-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
EP-1807406-A2 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-18 EP disclosed
WO-2006047503-A2 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA (BE) 2006-05-04 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
US-20050113566-A1 Inhibitors of C-FMS kinase JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-26 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 2165/4885HSD17B10 1468/4885L3MBTL1 3552/4885
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-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
US-20050113566-A1 Inhibitors of C-FMS kinase ALK, TYRO3, PDGFRB ALDH1A1 2507/4885HSD17B10 2780/4885L3MBTL1 2517/4885

“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.