SCHEMBL3567707

SCHEMBL3567707

O=C(CCc1ccccc1)N=C=S

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.53
ALDH1A1 P00352 2/20 0.50
FFAR1 O14842 2/20 0.50
NFE2L2 Q16236 1/20 0.49
MIF P14174 4/20 0.48
TRPA1 O75762 1/20 0.48
CYP2E1 P05181 1/20 0.48
CYP2A6 P11509 1/20 0.48
HIF1A Q16665 1/20 0.48
CYP2A13 Q16696 1/20 0.48
EPAS1 Q99814 1/20 0.48
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC3 O15379 1/20 0.46
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.46
HDAC4 P56524 1/20 0.46

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
SCHEMBL5825055 0.89 HDAC1 (0.56) KEAP1FFAR1NFE2L2MIFTRPA1
SCHEMBL6159903 0.83 KEAP1 (0.55) KEAP1ALDH1A1FFAR1HDAC2HDAC8
SCHEMBL5824805 0.82 FFAR1 (0.50) ALDH1A1FFAR1CYP2A6TDP1SMN1; SMN2
SCHEMBL371856 0.81 CES1 (0.50) KEAP1ALDH1A1FFAR1NFE2L2MIF
SCHEMBL5824507 0.80 TAAR1 (0.45) ALDH1A1FFAR1HDAC2HDAC8HDAC6
SCHEMBL16519727 0.76 KEAP1 (0.61) KEAP1ALDH1A1FFAR1HDAC2HDAC8
SCHEMBL5824440 0.76 TAAR1 (0.42) KEAP1ALDH1A1NFE2L2MAPTHTT
SCHEMBL5429609 0.76 KEAP1 (0.55) KEAP1ALDH1A1FFAR1HIF1AHDAC2
SCHEMBL2487165 0.75 ALDH1A1 (0.61) KEAP1ALDH1A1FFAR1HDAC2HDAC8
SCHEMBL16908259 0.75 KEAP1 (0.59) KEAP1ALDH1A1FFAR1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216954-B2 Serine racemase inhibitor NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2015-12-22 US disclosed
US-9216954-B2 Serine racemase inhibitor NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2015-12-22 US disclosed
US-9216954-B2 Serine racemase inhibitor NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2015-12-22 US disclosed
US-20140371291-A1 SERINE RACEMASE INHIBITOR NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2014-12-18 US disclosed
US-20140371291-A1 SERINE RACEMASE INHIBITOR NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2014-12-18 US disclosed
US-20140371291-A1 SERINE RACEMASE INHIBITOR NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2014-12-18 US disclosed
EP-2808014-A1 SERINE RACEMASE INHIBITOR National University Corporation University Of Toyama (JP) 2014-12-03 EP disclosed
EP-2808014-A1 SERINE RACEMASE INHIBITOR National University Corporation University Of Toyama (JP) 2014-12-03 EP disclosed
EP-1781664-B1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC (CA) 2013-09-04 EP disclosed
WO-2013111798-A1 SERINE RACEMASE INHIBITOR 国立大学法人 富山大学 (JP) 2013-08-01 WO disclosed
CN-101031570-A Inhibitors of vegf receptor and hgf receptor signaling METHYLGENE INC (CA) 2007-09-05 CN disclosed
WO-2007054831-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. (CA) 2007-05-18 WO disclosed
EP-1781664-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING Methylgene, Inc. (CA) 2007-05-09 EP disclosed
US-20060287343-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. 2006-12-21 US disclosed
US-7135466-B2 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-14 US disclosed
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-21 US disclosed
US-20060074056-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. (CA) 2006-04-06 US disclosed
WO-2006010264-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. (CA) 2006-02-02 WO disclosed
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2004-07-08 US disclosed
EP-1243582-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-09-25 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 (5 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-20140371291-A1 SERINE RACEMASE INHIBITOR SRR, PRSS1, ME1 KEAP1 565/4885ALDH1A1 686/4885FFAR1 1014/4885
US-20060074056-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 KEAP1 1571/4885ALDH1A1 1649/4885FFAR1 272/4885
US-20060287343-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, FLT1 KEAP1 1571/4885ALDH1A1 1649/4885FFAR1 272/4885
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA KEAP1 2662/4885ALDH1A1 2003/4885FFAR1 81/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA KEAP1 2874/4885ALDH1A1 2059/4885FFAR1 113/4885

“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.