SCHEMBL408187

SCHEMBL408187

FC(F)(F)COc1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
SCN5A Q14524 1/20 0.41
KIF11 P52732 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
NOS1 P29475 4/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
GPR3 P46089 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
HSP90AA1 P07900 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
Hydrochloric Acid SCHEMBL28121739 0.98 ALDH1A1 (0.45) ALDH1A1MAPTSCN5AKIF11SMN1; SMN2
SCHEMBL10554191 0.85 LTA4H (0.53) ALDH1A1MAPTSCN5ASMN1; SMN2KMT2A
SCHEMBL8873188 0.84 LTA4H (0.56) NOS1CYP3A4CYP2D6CYP2C9NPC1
SCHEMBL498377 0.83 ALDH1A1 (0.56) ALDH1A1MAPTSCN5ASMN1; SMN2KMT2A
SCHEMBL470865 0.83 KMT2A (0.41) ALDH1A1MAPTKIF11SMN1; SMN2KMT2A
SCHEMBL17132268 0.81 SMN1; SMN2 (0.44) ALDH1A1MAPTSMN1; SMN2KMT2AHTT
SCHEMBL16804679 0.77 NUDT1 (0.44) ALDH1A1KIF11SMN1; SMN2KMT2ACYP3A4
SCHEMBL28013905 0.77 MAPT (0.42) ALDH1A1MAPTSCN5ASMN1; SMN2KMT2A
SCHEMBL2280790 0.76 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2KMT2AHTT
SCHEMBL18380932 0.76 SCN5A (0.56) ALDH1A1MAPTSCN5ASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964226-A1 2-PYRIDYLOXY-4-ETHER OREXIN RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2016-01-13 EP claimed
WO-2014137883-A1 2-PYRIDYLOXY-4-ETHER OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-12 WO claimed
EP-4318630-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS SECONDARY BATTERY ASAHI CHEMICAL IND (JP) 2025-10-22 EP disclosed
US-12199280-B2 Non-aqueous secondary battery and non-aqueous electrolyte ASAHI KASEI KABUSHIKI KAISHA (JP) 2025-01-14 US disclosed
WO-2024263860-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2024-12-26 WO disclosed
EP-4415105-A2 NON-AQUEOUS SECONDARY BATTERY AND NON-AQUEOUS ELECTROLYTE Asahi Kasei Kabushiki Kaisha (JP) 2024-08-14 EP disclosed
WO-2024151919-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2024-07-18 WO disclosed
WO-2024151919-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2024-07-18 WO disclosed
US-20240178452-A1 Nonaqueous Electrolyte Solution and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2024-05-30 US disclosed
EP-4318630-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS SECONDARY BATTERY Asahi Kasei Kabushiki Kaisha (JP) 2024-02-07 EP disclosed
CN-117223143-A Nonaqueous electrolyte and nonaqueous secondary battery 旭化成株式会社 2023-12-12 CN disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
CN-105121436-A Novel pyridine derivatives HOFFMANN LA ROCHE 2015-12-02 CN disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO 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 (3 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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR ALDH1A1 374/4885MAPT 3010/4885SCN5A 810/4885
US-12199280-B2 Non-aqueous secondary battery and non-aqueous electrolyte CLK2, TYK2, CLK3 ALDH1A1 4513/4885MAPT 1919/4885SCN5A 2255/4885
US-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT ALDH1A1 272/4885MAPT 1464/4885SCN5A 904/4885

“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.