SCHEMBL7688039

SCHEMBL7688039

COC(=O)c1ccc(OC(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MITF O75030 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
CASP3 P42574 1/20 0.44
HTT P42858 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
SIRT6 Q8N6T7 1/20 0.42
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL7683231 0.85 EIF4E (0.47) MEN1KMT2ASMN1; SMN2TDP1MITF
SCHEMBL1571262 0.85 AKR1C3 (0.54) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL22749364 0.84 KMT2A (0.43) MEN1KMT2ASMN1; SMN2MITFNPSR1
SCHEMBL9704851 0.84 MEN1 (0.43) MEN1KMT2ASMN1; SMN2TDP1MITF
SCHEMBL26103584 0.83 PDGFRB (0.45) MEN1KMT2ASMN1; SMN2TDP1MITF
SCHEMBL31009332 0.83 HPGD (0.50) MEN1KMT2ASMN1; SMN2TDP1NPSR1
SCHEMBL22749356 0.82 AKR1C3 (0.52) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL22749344 0.82 MAPT (0.44) MEN1KMT2ASMN1; SMN2TDP1MAPT
SCHEMBL21332812 0.81 NPSR1 (0.47) MEN1KMT2ASMN1; SMN2TDP1MITF
SCHEMBL1450704 0.81 CFTR (0.60) MEN1KMT2ASMN1; SMN2TDP1MAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114728910-B Pyrazole derivative for FGFR inhibitor and preparation method thereof 上海奕拓医药科技有限责任公司 2024-05-14 CN disclosed
US-20220298143-A1 Pyrazole Derivatives for FGFR Inhibitor and Preparation Method Thereof ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2022-09-22 US disclosed
CN-114728910-A Pyrazole derivatives for FGFR inhibitor and preparation method thereof 上海奕拓医药科技有限责任公司 2022-07-08 CN disclosed
EP-4023639-A1 PYRAZOLE DERIVATIVE FOR FGFR INHIBITOR AND PREPARATION METHOD THEREFOR Etern Biopharma (Shanghai) Co., Ltd. (CN) 2022-07-06 EP disclosed
CN-112441980-A Pyrazole derivatives for FGFR inhibitor and preparation method thereof 上海奕拓医药科技有限责任公司 2021-03-05 CN disclosed
WO-2021037219-A1 PYRAZOLE DERIVATIVE FOR FGFR INHIBITOR AND PREPARATION METHOD THEREFOR 上海奕拓医药科技有限责任公司 2021-03-04 WO disclosed
US-20020045551-A1 4-benzoyl isoxazoles derivatives and their use as herbicides MUSIL TIBOR (GB) 2002-04-18 US disclosed
US-6323155-B1 EXCELLENT LEVEL OF HERBICIDAL ACTIVITY TOGETHER WITH CROP TOLERANCE RHONE-POULENC AGRICULTURE LIMITED (GB) 2001-11-27 US disclosed
EP-0674629-B1 4-BENZOYL ISOXAZOLES DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE (GB) 1998-07-08 EP disclosed
EP-0674629-A1 4-BENZOYL ISOXAZOLES DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1995-10-04 EP disclosed
EP-0625505-A2 2-Cyano-1,3-dione derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-11-23 EP disclosed
WO-1994014782-A1 4-BENZOYL ISOXAZOLES DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1994-07-07 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-20020045551-A1 4-benzoyl isoxazoles derivatives and their use as herbicides CBR3, CBR1, GLRA3 MEN1 4809/4885KMT2A 3499/4885SMN1; SMN2 3433/4885
US-20220298143-A1 Pyrazole Derivatives for FGFR Inhibitor and Preparation Method Thereof FGFR1, FGFR2, FGFR3 MEN1 2796/4885KMT2A 2107/4885SMN1; SMN2 4532/4885

“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.