SCHEMBL3366569

SCHEMBL3366569

CCc1ccccc1OC(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.49
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
KCNH2 Q12809 3/20 0.43
SLC6A3 Q01959 2/20 0.43
CYP2D6 P10635 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 2/20 0.42
DRD1 P21728 1/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL21322056 0.84 ADRA2A (0.48) TNFMAPTL3MBTL1NPSR1ADRA2A
SCHEMBL11974049 0.84 HTR1A (0.49) TNFADRA2AADRA2BADRA2CSLC6A2
SCHEMBL2650387 0.83 TNF (0.49) TNFSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL19365951 0.82 TNF (0.40) TNFMAPTL3MBTL1NPSR1SLC6A2
SCHEMBL5696557 0.82 TNF (0.43) TNFADRA2AADRA2BADRA2CSLC6A2
SCHEMBL14378254 0.81 THRA (0.43) TNFADRA2AADRA2BADRA2CSLC6A2
SCHEMBL5412735 0.81 ADRA2A (0.51) MAPTL3MBTL1NPSR1ADRA2AADRA2B
SCHEMBL10160283 0.80 SLC6A2 (0.48) TNFSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL12016057 0.80 IDO1 (0.44) TNFSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL18649071 0.80 SLC6A2 (0.45) TNFADRA2AADRA2BADRA2CSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
EP-4134364-A2 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc. (US) 2023-02-15 EP disclosed
US-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE HOLDINGS CORPORATION (US) 2020-06-30 US disclosed
EP-3640241-A1 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc. (US) 2020-04-22 EP disclosed
EP-2939675-B1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SHIN NIPPON BIOMEDICAL LABORATORIES LTD (JP) 2019-09-04 EP disclosed
WO-2019027054-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-02-07 WO disclosed
CN-108140887-A NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY 株式会社艾迪科 2018-06-08 CN disclosed
EP-3290407-A1 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc (US) 2018-03-07 EP disclosed
US-20180000797-A1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SHIN NIPPON BIOMEDICAL LABORATORIES, LTD. (JP) 2018-01-04 US disclosed
EP-2900223-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2017-10-25 EP disclosed
US-20090192129-A1 BICYCLIC PYRROLE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-07-30 US disclosed
US-20090192138-A1 COMPOUNDS BAESCHLIN DANIEL KASPAR 2009-07-30 US disclosed
US-20090170824-A1 Diarylsulfones as 5-HT2A Antagonists CASTRO PINEIRO JOSE LUIS 2009-07-02 US disclosed
US-20090149483-A1 BICYCLIC PYRROLE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-06-11 US disclosed
US-20080318922-A1 Bicyclic Pyrrole Derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-25 US disclosed
US-7468393-B2 Diarylsulfones as 5-HT2A antagonists MERCK SHARP & DOHME LTD. (GB) 2008-12-23 US disclosed
US-7402674-B2 7-Phenylamino-4-quinolone-3-carboxylic acid derivatives, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH, (DE) 2008-07-22 US disclosed
WO-2007145922-A2 BENZAZEPINONES AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2007-12-21 WO disclosed
US-20070203205-A1 Diarylsulfones as 5-HT2A antagonists MERCK SHARP & DOHME (UK) LIMITED (GB) 2007-08-30 US disclosed
US-7217740-B2 Diarylsulfones as 5-HT2A antagonists MERCK SHARP AND DOHME 2007-05-15 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 (9 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-20070203205-A1 Diarylsulfones as 5-HT2A antagonists HTR2A, HTR2B, HTR1A TNF 4842/4885MAPT 3488/4885L3MBTL1 3394/4885
US-20090170824-A1 Diarylsulfones as 5-HT2A Antagonists HTR2A, HTR2B, HTR1A TNF 4842/4885MAPT 3488/4885L3MBTL1 3394/4885
US-20080318922-A1 Bicyclic Pyrrole Derivatives DPP4, DPP7, DPP3 TNF 4621/4885MAPT 4246/4885L3MBTL1 31/4885
US-20090192129-A1 BICYCLIC PYRROLE DERIVATIVES DPP4, DPP7, DPP3 TNF 4570/4885MAPT 4300/4885L3MBTL1 20/4885
US-20180000797-A1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SLCO1B3, SLC22A8, SLCO4C1 TNF 4860/4885MAPT 2193/4885L3MBTL1 3192/4885
US-20090149483-A1 BICYCLIC PYRROLE DERIVATIVES DPP4, DPP7, DPP3 TNF 4570/4885MAPT 4300/4885L3MBTL1 20/4885
US-20090192138-A1 COMPOUNDS DPP4, DPP3, DPP8 TNF 3556/4885MAPT 2735/4885L3MBTL1 2652/4885
US-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors JAK1, JAK2, JAK3 TNF 239/4885MAPT 4397/4885L3MBTL1 3775/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS TNF 4747/4885MAPT 3825/4885L3MBTL1 3503/4885

“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.