SCHEMBL4791019

SCHEMBL4791019

COC(=O)c1n[nH]c2ccc(OC(F)(F)F)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
STAT3 P40763 1/20 0.57
HIF1A Q16665 1/20 0.57
PRKAG1 P54619 1/20 0.49
PRKAA1 Q13131 1/20 0.49
PRKAB1 Q9Y478 1/20 0.49
GSK3B P49841 3/20 0.45
CDC7 O00311 1/20 0.44
RBP4 P02753 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
NAMPT P43490 1/20 0.43
TRPA1 O75762 1/20 0.43
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
ROCK1 Q13464 1/20 0.42
CDK2 P24941 1/20 0.41
FLT3 P36888 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TRPV1 Q8NER1 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
SCHEMBL30648568 1.00 KDM4E (0.57) KDM4ESTAT3HIF1APRKAG1PRKAA1
SCHEMBL27956751 0.89 KDM4E (0.57) KDM4ESTAT3HIF1AGSK3BTRPA1
SCHEMBL1573096 0.86 PRKAG1 (0.58) KDM4EPRKAG1PRKAA1PRKAB1GSK3B
SCHEMBL4794844 0.86 KDM4E (0.63) KDM4ESTAT3HIF1APRKAG1PRKAA1
SCHEMBL27837474 0.85 NTRK1 (0.44) KDM4EPRKAG1PRKAA1PRKAB1GSK3B
SCHEMBL12583332 0.84 GSK3B (0.49) KDM4EGSK3BGAAKMT2A
SCHEMBL27956758 0.82 KDM4E (0.58) KDM4ESTAT3HIF1APRKAG1PRKAA1
SCHEMBL2536370 0.80 KDM4E (0.63) KDM4ESTAT3HIF1APRKAG1PRKAA1
SCHEMBL173308 0.79 KDM4E (0.65) KDM4ESTAT3HIF1APRKAG1PRKAA1
SCHEMBL4793050 0.79 KDM4E (0.65) KDM4ESTAT3HIF1APRKAG1PRKAA1

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-117304113-A Synthesis method of 5- (trifluoromethoxy) -1H-indazole-3-carboxylic acid methyl ester 南通大学 2023-12-29 CN claimed
CN-117304113-A Synthesis method of 5- (trifluoromethoxy) -1H-indazole-3-carboxylic acid methyl ester 南通大学 2023-12-29 CN disclosed
CN-117304113-A Synthesis method of 5- (trifluoromethoxy) -1H-indazole-3-carboxylic acid methyl ester 南通大学 2023-12-29 CN disclosed
CN-117304113-A Synthesis method of 5- (trifluoromethoxy) -1H-indazole-3-carboxylic acid methyl ester 南通大学 2023-12-29 CN disclosed
EP-2565192-B9 ANTICANCER AGENT UNIV TOKYO (JP) 2015-11-25 EP disclosed
US-9156827-B2 Anticancer agent THE UNIVERSITY OF TOKYO (JP) 2015-10-13 US disclosed
EP-2565192-B1 ANTICANCER AGENT UNIV TOKYO (JP) 2015-08-12 EP disclosed
US-20130102776-A1 ANTICANCER AGENT RIKEN (JP) 2013-04-25 US disclosed
EP-2565192-A1 ANTICANCER AGENT The University of Tokyo (JP) 2013-03-06 EP disclosed
EP-1937647-A1 CONDENSED PYRAZOLE DERIVATIVES AS PPAR AGONISTS II Inpharmatica Limited (GB) 2008-07-02 EP disclosed
WO-2007036727-A1 CONDENSED PYRAZOLE DERIVATIVES AS PPAR AGONISTS II INPHARMATICA LIMITED (GB) 2007-04-05 WO disclosed
WO-2007036727-A1 CONDENSED PYRAZOLE DERIVATIVES AS PPAR AGONISTS II INPHARMATICA LIMITED (GB) 2007-04-05 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 (1 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-20130102776-A1 ANTICANCER AGENT PIM1, PIM3, PIM2 KDM4E 540/4885STAT3 532/4885HIF1A 265/4885

“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.