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Sugi Predict / Compounds / SCHEMBL1004777

SCHEMBL1004777

SCHEMBL1004777

CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.59
▸ MAPT P10636 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ HDAC3 O15379 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ TACR1 P25103 1/20 0.49
▸ P2RX1 P51575 2/20 0.49
▸ NOTUM Q6P988 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ RHOC P08134 3/20 0.44
▸ RHOA P61586 3/20 0.44
▸ BRAF P15056 1/20 0.44
▸ KDR P35968 1/20 0.44

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
SCHEMBL25795128 0.90 AKT1 (0.50) CES2MAPTGAAHDAC3HDAC8
SCHEMBL14214023 0.89 CES2 (0.47) CES2MAPTGAAHDAC3HDAC8
SCHEMBL2456614 0.89 GAA (0.50) CES2MAPTGAAHDAC3HDAC8
SCHEMBL29889675 0.89 GAA (0.50) CES2MAPTGAAHDAC3HDAC8
SCHEMBL2790855 0.87 GAA (0.53) CES2MAPTGAAHDAC3HDAC8
SCHEMBL1927538 0.87 GAA (0.49) CES2MAPTGAAHDAC3HDAC8
SCHEMBL12852682 0.87 MAPT (0.53) CES2MAPTGAAHDAC3HDAC8
Hydrochloric Acid SCHEMBL583552 0.86 GAA (0.47) CES2MAPTGAAHDAC3HDAC8
SCHEMBL27924997 0.86 NOTUM (0.64) CES2MAPTGAAHDAC3HDAC8
SCHEMBL20888431 0.84 MAPT (0.50) CES2MAPTGAAHDAC3HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4590669-A1 PYRAZOLE AMIDE INSECTICIDES FMC Corporation (US) 2025-07-30 — — EP disclosed
WO-2024064274-A1 PYRAZOLE AMIDE INSECTICIDES FMC CORPORATION (US) 2024-03-28 — — WO disclosed
US-20230023326-A1 HETEROARYL-SUBSTITUTED PYRAZINE DERIVATIVES AS PESTICIDES ELANCO ANIMAL HEALTH GMBH (DE) 2023-01-26 — — US disclosed
WO-2019062802-A1 ISOXAZOLINE DERIVATIVES AND THEIR USES IN AGRICULTURE RELATED APPLICATION DONGGUAN HEC TECH R & D CO., LTD. (CN) 2019-04-04 — — WO disclosed
US-8778219-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2014-07-15 — — US disclosed
US-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2013-12-19 — — US disclosed
US-8535560-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2013-09-17 — — US disclosed
US-20130177529-A1 Pyrazole Compounds VIVOQUEST, INC. 2013-07-11 — — US disclosed
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 — — US disclosed
US-8329703-B2 Pyrazole compounds XTL BIOPHARMACEUTICALS LTD. (IL) 2012-12-11 — — US disclosed
US-8049014-B2 Aminoquinoline derivatives, preparation method thereof and pharmaceutical composition comprising the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-11-01 — — US disclosed
WO-2011017519-A2 INHIBITORS OF METHIONINE AMINOPEPTIDASES AND METHODS OF TREATING DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2011-02-10 — — WO disclosed
WO-2011008664-A2 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2011-01-20 — — WO disclosed
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures UT-BATTELLE, LLC (US) 2011-01-20 — — US disclosed
US-20100249182-A1 AMINOQUINOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KP) 2010-09-30 — — US disclosed
WO-2009146539-A1 4-(AMINOMETHYL)CYCLOHEXANAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-12-10 — — WO disclosed
CN-1119328-C Acylaminoalkenylene-amide derivatives as NK1 and NK2 antagonists NOVARTIS AG (CH) 2003-08-27 — — CN disclosed
CN-1233238-A Acylaminoalkenylene-amide derivatives as NK1 and NK2 antagonists NOVARTIS AG (CH) 1999-10-27 — — CN disclosed
EP-0797583-A1 TACHYKININ ANTAGONISTS Novartis AG (CH) 1997-10-01 — — EP disclosed
WO-1996018643-A1 TACHYKININ ANTAGONISTS NOVARTIS AG (CH) 1996-06-20 — — 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 (6 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-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES POU2F1, POU2F2, POF1B CES2 2091/4885MAPT 3226/4885GAA 4868/4885
US-20230023326-A1 HETEROARYL-SUBSTITUTED PYRAZINE DERIVATIVES AS PESTICIDES DDT, PRXL2A, CAT CES2 2884/4885MAPT 3937/4885GAA 4409/4885
US-20130165483-A1 HETEROARYLS AND USES THEREOF PIK3R5, PIK3R4, PIK3C2B CES2 1830/4885MAPT 4368/4885GAA 129/4885
US-20130177529-A1 Pyrazole Compounds MAVS, EIF2AK2, ZC3HAV1 CES2 865/4885MAPT 3193/4885GAA 454/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B CES2 2091/4885MAPT 3226/4885GAA 4868/4885
US-20100249182-A1 AMINOQUINOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME NRAS, SFPQ, TYR CES2 4628/4885MAPT 4229/4885GAA 4596/4885

“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.