SCHEMBL127352

SCHEMBL127352

Cc1cccnc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
PDK2 Q15119 1/20 0.41
NPC1 O15118 2/20 0.38
PLAU P00749 1/20 0.38
PSMD14 O00487 1/20 0.38
COPS5 Q92905 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
CYP2A6 P11509 1/20 0.38
SSTR4 P31391 1/20 0.38
TRPV1 Q8NER1 2/20 0.37
FDPS P14324 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HSP90AA1 P07900 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
PTGS2 P35354 1/20 0.35

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
SCHEMBL31533100 1.00 NOS3 (0.46) NOS3NOS1NOS2PDK2NPC1
Ammonia Solution, Strong SCHEMBL29243896 0.98 NOS3 (0.45) NOS3NOS1NOS2PDK2NPC1
Hydrochloric Acid SCHEMBL28046298 0.98 NOS3 (0.45) NOS3NOS1NOS2PDK2NPC1
SCHEMBL11559804 0.84 NOS3 (0.45) NOS3NOS1NOS2PDK2NPC1
SCHEMBL129161 0.79 NOS3 (0.41) NOS3NOS1NOS2PDK2NPC1
SCHEMBL77479 0.79 NOS3 (0.48) NOS3NOS1NOS2PDK2NPC1
SCHEMBL4484930 0.77 KDM4E (0.36) KDM4ESSTR4MAPTELANE
SCHEMBL30628207 0.77 SSTR4 (0.42) NOS3NOS1NOS2PDK2NPC1
SCHEMBL17420642 0.77 SSTR4 (0.42) NOS3NOS1NOS2PDK2NPC1
SCHEMBL1332434 0.76 NOS3 (0.45) NOS3NOS1NOS2NPC1PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350090-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2015-06-03 EP claimed
US-8263606-B2 Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2012-09-11 US claimed
EP-2350090-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2011-08-03 EP claimed
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-06-03 US claimed
WO-2010045251-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS, INC. (CA) 2010-04-22 WO claimed
US-7629342-B2 Regulation of appetite, antiemetics, immunosuppression, analgesia, inflammation, antinocioception, sedation, and intraocular pressure; synergistic; 2-(4-(Trifluoromethyl)benzyl)-7,8-bis(4-chlorophenyl)-6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-08 US claimed
CN-101238128-A Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL MYERS SQUIBB CO (US) 2008-08-06 CN claimed
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 US disclosed
WO-2024059096-A2 C5AR1 ANTAGONISTS AND USES THEREOF VANQUA BIO, INC. (US) 2024-03-21 WO disclosed
EP-4010076-B1 (HETERO)ARYL-METHYL-THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2024-01-17 EP disclosed
US-11839679-B2 Gamma-diketones for treatment and prevention of aging skin and wrinkles BIOSPLICE THERAPEUTICS, INC. (US) 2023-12-12 US disclosed
WO-2023232967-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING A COMPOUND OF FORMULA (I) AND A COMPOUND OF FORMULA (II), AND DISPLAY DEVICE COMPRISING THE ORGANIC ELECTROLUMINESCENT DEVICE NOVALED GMBH (DE) 2023-12-07 WO disclosed
WO-2023230540-A2 INDAZOLE DERIVATIVES FOR TREATING TRPM3-MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
WO-2002002524-A1 PYRROLE DERIVATIVES FOR TREATING AIDS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-10 WO disclosed
EP-0806455-A2 Methine and azamethine dyes derived from trifluoromethylpyridones BASF AKTIENGESELLSCHAFT (DE) 1997-11-12 EP disclosed
EP-0298803-B1 PROCESS FOR THE PERHALOALKYLATION OF AROMATIC DERIVATIVES RHONE-POULENC CHIMIE (FR) 1991-09-04 EP disclosed
EP-0206951-B1 PROCESS FOR THE PERFLUOROALKYLATION OF AROMATIC DERIVATIVES RHONE-POULENC CHIMIE (FR) 1990-03-21 EP disclosed
EP-0298803-A1 Process for the perhaloalkylation of aromatic derivatives RHONE-POULENC CHIMIE (FR) 1989-01-11 EP disclosed
US-4731450-A Process for perfluoroalkylation of aromatic derivatives RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1988-03-15 US disclosed
EP-0206951-A2 Process for the perfluoroalkylation of aromatic derivatives RHONE-POULENC CHIMIE (FR) 1986-12-30 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 (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-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP NOS3 1203/4885NOS1 1625/4885NOS2 2248/4885
US-11839679-B2 Gamma-diketones for treatment and prevention of aging skin and wrinkles DGKG, DGKA, DNER NOS3 876/4885NOS1 1053/4885NOS2 934/4885
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 NOS3 1451/4885NOS1 2398/4885NOS2 2423/4885

“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.