SCHEMBL1699267

SCHEMBL1699267

O=C(O)c1c(C(F)(F)F)ccnc1F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.43
KMO O15229 6/20 0.42
ASPH Q12797 2/20 0.42
KDM4E B2RXH2 1/20 0.42
KDM8 Q8N371 1/20 0.42
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SORT1 Q99523 1/20 0.37
DAO P14920 1/20 0.35
S1PR3 Q99500 1/20 0.35
CNR2 P34972 1/20 0.35
ALKBH2 Q6NS38 1/20 0.35
ALKBH3 Q96Q83 1/20 0.35
FTO Q9C0B1 1/20 0.35
TYK2 P29597 1/20 0.34

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
SCHEMBL148901 0.80 AAK1 (0.44) KMOASPHKDM4EKDM8HTT
SCHEMBL3540937 0.80 KMO (0.43) KMOASPHKDM4EKDM8HTT
SCHEMBL15880100 0.80 HSD17B10 (0.43) NAPRTKMOASPHKDM4EKDM8
SCHEMBL14907699 0.80 KMO (0.41) KMOASPHKDM4EKDM8HTT
SCHEMBL30613704 0.80 KMO (0.43) KMOASPHKDM4EKDM8HTT
SCHEMBL1699297 0.80 NOTUM (0.42) KDM4ES1PR3
SCHEMBL26075207 0.78 KDM4E (0.59) NAPRTKMOASPHKDM4EKDM8
SCHEMBL29877707 0.78 KDM4E (0.59) NAPRTKMOASPHKDM4EKDM8
SCHEMBL2114463 0.76 NAPRT (0.48) NAPRTKMOASPHKDM4EKDM8
SCHEMBL23012638 0.76 SLC22A12 (0.39) KMOASPHSORT1S1PR3

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
CN-119431706-A Fatigue-resistant polyurethane elastomer and preparation method and application thereof 万勋科技(深圳)有限公司 2025-02-14 CN claimed
CN-119431706-A Fatigue-resistant polyurethane elastomer and preparation method and application thereof 万勋科技(深圳)有限公司 2025-02-14 CN disclosed
US-20240349726-A1 SUBSTITUTED 1,2,4-THIADIAZOLYL NICOTINAMIDES, SALTS OR N-OXIDES THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-10-24 US disclosed
EP-4387969-A1 SUBSTITUTED 1,2,4-THIADIAZOLYL NICOTINAMIDES, SALTS OR N-OXIDES THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2024-06-26 EP disclosed
CN-117794928-A Substituted 1,2, 4-thiadiazolyl nicotinamide, salts or N-oxides thereof and their use as herbicidal active substances 拜耳公司 2024-03-29 CN disclosed
WO-2023020963-A1 SUBSTITUTED 1,2,4-THIADIAZOLYL NICOTINAMIDES, SALTS OR N-OXIDES THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2023-02-23 WO disclosed
EP-2585462-B1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2020-02-26 EP disclosed
EP-2970124-B1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS AND METHODS OF USE THEREOF UNIV LELAND STANFORD JUNIOR (US) 2019-05-22 EP disclosed
US-10227304-B2 Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-03-12 US disclosed
US-20170320828-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2017-11-09 US disclosed
US-8940758-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-27 US disclosed
WO-2014160185-A2 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-10-02 WO disclosed
US-8846713-B2 Fused heterocyclic compounds as phosphodiesterases (PDEs) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-30 US disclosed
US-20140228320-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-14 US disclosed
US-20130303553-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2013-11-14 US disclosed
US-8563575-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-22 US disclosed
US-20130172328-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS CROSSWING INC. (CA) 2013-07-04 US disclosed
EP-2585462-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2013-05-01 EP disclosed
WO-2011163355-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-29 WO disclosed
US-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-29 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-20130172328-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS PDE3A, PDE5A, PDE2A NAPRT 752/4885KMO 2153/4885ASPH 2161/4885
US-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS PDE5A, PDE2A, PDE3A NAPRT 686/4885KMO 2468/4885ASPH 3006/4885
US-20130303553-A1 FUSED HETEROCYCLIC COMPOUNDS PDE5A, PDE2A, PDE3A NAPRT 686/4885KMO 2468/4885ASPH 3006/4885
US-20140228320-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS PDE3A, PDE5A, PDE2A NAPRT 752/4885KMO 2153/4885ASPH 2161/4885
US-20240349726-A1 SUBSTITUTED 1,2,4-THIADIAZOLYL NICOTINAMIDES, SALTS OR N-OXIDES THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES NQO1, NNMT, NADK NAPRT 8/4885KMO 205/4885ASPH 2041/4885
US-20170320828-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof ALDH2, ALDH5A1, DLD NAPRT 1316/4885KMO 1905/4885ASPH 1446/4885
US-10227304-B2 Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof ALDH2, ALDH5A1, DLD NAPRT 1316/4885KMO 1905/4885ASPH 1446/4885

“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.