SCHEMBL757178

SCHEMBL757178

Cn1nc(C(F)(F)F)c(C=O)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 6/20 0.48
CYP1A2 P05177 5/20 0.48
CYP2D6 P10635 3/20 0.48
CYP2C9 P11712 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 4/20 0.38
ALDH1A1 P00352 4/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 3/20 0.37
NPSR1 Q6W5P4 3/20 0.34
GAA P10253 1/20 0.34
MAPK8 P45983 1/20 0.34
HTT P42858 1/20 0.33

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
SCHEMBL16937258 0.87 CYP1A2 (0.39) CYP2C19CYP1A2CYP2D6CYP2C9L3MBTL1
SCHEMBL19272979 0.86 CYP1A2 (0.38) CYP2C19CYP1A2CYP2D6CYP2C9L3MBTL1
SCHEMBL20738982 0.84 CYP1A2 (0.37) CYP2C19CYP1A2CYP2D6CYP2C9L3MBTL1
SCHEMBL9545078 0.83 CYP1A2 (0.46) CYP2C19CYP1A2CYP2D6CYP2C9L3MBTL1
SCHEMBL29955357 0.83 L3MBTL1 (0.38) CYP2C19CYP1A2CYP2D6CYP2C9L3MBTL1
SCHEMBL29110119 0.80 CYP2C19 (0.45) CYP2C19CYP1A2CYP2D6CYP2C9L3MBTL1
SCHEMBL29110116 0.80 CYP2C19 (0.45) CYP2C19CYP1A2CYP2D6CYP2C9L3MBTL1
SCHEMBL764718 0.79 ALDH1A1 (0.36) CYP2C19CYP1A2CYP2D6CYP2C9L3MBTL1
SCHEMBL939579 0.79 CYP1A2 (0.35) CYP2C19CYP1A2CYP2D6CYP2C9L3MBTL1
SCHEMBL14507097 0.79 CYP2C19 (0.38) CYP2C19CYP1A2CYP2D6CYP2C9L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103951663-B Containing replacing the pyrazole amide of 1,3,4-thiadiazoles thioether and pyrazole imine analog derivative and preparation method and application 贵州大学 2016-08-17 CN claimed
WO-2024150100-A1 NEW PROCESS FOR MANUFACTURING OF 3-HALOMETHYL-SUBSTITUTED 1-METHYL-1H-PYRAZOLE-4-CARBONITRILES AND OF DERIVATIVES THEREOF, AND INTERMEDIATES THEREFORE FLUORINNOVATION L.L.C-FZ (AE) 2024-07-18 WO disclosed
CN-111943900-B Isoxazoline derivatives and their use in agriculture 宁夏苏融达化工有限公司 2023-11-17 CN disclosed
EP-4240736-A1 PPAR GAMMA MODULATORS AND METHODS OF USE Eisai R&D Management Co., Ltd. (JP) 2023-09-13 EP disclosed
CN-116635380-A PPARgamma modulators and methods of use 卫材R&D管理有限公司 2023-08-22 CN disclosed
US-20230125494-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCER AND INFLAMMATION Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-04-27 US disclosed
US-20230125494-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCER AND INFLAMMATION Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-04-27 US disclosed
US-20230062861-A1 PPARg MODULATORS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-03-02 US disclosed
EP-4116291-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCERS AND INFLAMMATIONS Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-01-11 EP disclosed
EP-4116291-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCERS AND INFLAMMATIONS Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-01-11 EP disclosed
US-6063734-A AGRICULTURAL CHEMICALS, AGENTS FOR PREVENTING ATTACHMENT OF AQUATIC ORGANISMS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-16 US disclosed
CN-1216530-A Ethylene derivatives and pesticides containing the same NISSAN CHEMICAL IND LTD (JP) 1999-05-12 CN disclosed
EP-0913392-A1 ETHYLENE DERIVATIVES AND PEST CONTROLLING AGENTS NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-05-06 EP disclosed
EP-0623113-B1 PYRAZOLE CARBOXANILIDE FUNGICIDES MONSANTO CO (US) 1997-03-05 EP disclosed
EP-0644879-A1 HERBICIDAL PYRAZOLE-(THIO)-CARBOXAMIDES RHONE POULENC AGRICULTURE LTD. (GB) 1995-03-29 EP disclosed
EP-0623113-A1 PYRAZOLE CARBOXANILIDE FUNGICIDES. MONSANTO CO (US) 1994-11-09 EP disclosed
WO-1993025535-A1 HERBICIDAL PYRAZOLE-(THIO)-CARBOXAMIDES RHONE POULENC AGRICULTURE LTD. (GB) 1993-12-23 WO disclosed
CN-1078234-A Pyrazole carboxanilide fungicide MONSANTO CO (US) 1993-11-10 CN disclosed
US-5223526-A For plants MONSANTO COMPANY (US) 1993-06-29 US disclosed
WO-1993011117-A1 PYRAZOLE CARBOXANILIDE FUNGICIDES MONSANTO COMPANY (US) 1993-06-10 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 (2 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-20230125494-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCER AND INFLAMMATION PTGER4, PTGER3, PTGER2 CYP2C19 948/4885CYP1A2 395/4885CYP2D6 515/4885
US-20230062861-A1 PPARg MODULATORS AND METHODS OF USE PPARG, PPARA, PPARD CYP2C19 169/4885CYP1A2 272/4885CYP2D6 277/4885

“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.