SCHEMBL625370

SCHEMBL625370

N#CCc1ccccc1OC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.40
GRIN1 Q05586 1/20 0.40
SLC6A3 Q01959 7/20 0.40
SLC6A2 P23975 7/20 0.40
SLC6A4 P31645 6/20 0.40
DRD2 P14416 4/20 0.40
KCNH2 Q12809 4/20 0.40
CYP2D6 P10635 3/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TACR1 P25103 1/20 0.36
GAA P10253 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
SLC22A12 Q96S37 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
SCHEMBL29921250 1.00 GRIN2B (0.40) GRIN2BGRIN1SLC6A3SLC6A2SLC6A4
SCHEMBL18190449 0.86 HDAC3 (0.36) GRIN2BGRIN1SLC6A3SLC6A2SLC6A4
SCHEMBL8095035 0.84 KCNH2 (0.37) GRIN2BGRIN1SLC6A3SLC6A2SLC6A4
SCHEMBL18190431 0.83 SLC6A3 (0.33) GRIN2BGRIN1SLC6A3SLC6A2SLC6A4
SCHEMBL3214673 0.82 SLC6A3 (0.44) GRIN2BGRIN1SLC6A3SLC6A2SLC6A4
SCHEMBL5546601 0.81 HDAC3 (0.42) GRIN2BGRIN1SLC6A3SLC6A2SLC6A4
SCHEMBL24133953 0.77 GPR3 (0.39) GRIN2BSLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL9185044 0.77 ALDH1A1 (0.37) SLC6A4ALDH1A1HPGDGAA
SCHEMBL10566625 0.76 CYP2A6 (0.42) GRIN2BSLC6A3SLC6A4KCNH2GAA
SCHEMBL21116063 0.76 CSNK2A1 (0.42) SLC6A4RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0492136-A2 Retroviral protease inhibitors derived from 3-chloro-2-chloromethyl-1-propene AMERICAN CYANAMID COMPANY (US) 1992-07-01 EP claimed
US-4822903-A Fluorinated silica catalyst and preparation of aromatic/aliphatic nitriles in the presence thereof RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1989-04-18 US claimed
US-4438042-A FROM AMIDES, FLUORINATE SILCEOUS CATALYSTS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-20 US claimed
US-4436669-A CYANATION, DECARBONYLATION, ACID CATALYSTS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-13 US claimed
EP-3362445-B1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2023-01-25 EP disclosed
EP-4121421-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS Novartis AG (CH) 2023-01-25 EP disclosed
EP-3362445-B1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2023-01-25 EP disclosed
CN-108699048-B Oxadiazolamide derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same 株式会社钟根堂 2021-12-28 CN disclosed
US-11149018-B2 Substituted N-arylethyl-2-aminoquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-19 US disclosed
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-05 US disclosed
US-20210299100-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS NOVARTIS PHARMA AG (CH) 2021-09-30 US disclosed
WO-2021186324-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS NOVARTIS AG (CH) 2021-09-23 WO disclosed
WO-2003106443-A1 1-PHENYLALKYL-PIPERAZINES RECORDATI S.A. (CH) 2003-12-24 WO disclosed
US-6090805-A Tocolytic oxytocin receptor antagonists MERCK & CO., INC. (US) 2000-07-18 US disclosed
US-5968938-A Piperazine oxytocin receptor antagonists MERCK & CO., INC. (US) 1999-10-19 US disclosed
EP-0447645-A1 Aralkylesulfonyl ureas BAYER AG (DE) 1991-09-25 EP disclosed
US-4822903-A Fluorinated silica catalyst and preparation of aromatic/aliphatic nitriles in the presence thereof RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1989-04-18 US disclosed
US-4504595-A Fluorinated silica catalyst and preparation of aromatic/aliphatic nitriles in the presence thereof RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1985-03-12 US disclosed
US-4438042-A FROM AMIDES, FLUORINATE SILCEOUS CATALYSTS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-20 US disclosed
US-4436669-A CYANATION, DECARBONYLATION, ACID CATALYSTS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-13 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 (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-11149018-B2 Substituted N-arylethyl-2-aminoquinoline-4-carboxamides and use thereof AADAC, ARG2, GOT2 GRIN2B 1309/4885GRIN1 2385/4885SLC6A3 4148/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX GRIN2B 1989/4885GRIN1 3085/4885SLC6A3 4184/4885
US-20210299100-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS YAP1, TEAD3, TEAD2 GRIN2B 4173/4885GRIN1 4209/4885SLC6A3 3875/4885

“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.