SCHEMBL4904432

SCHEMBL4904432

COC(=O)c1ccc(C(F)(F)Cl)[nH]c1=O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
GLA P06280 1/20 0.57
GAA P10253 1/20 0.57
HSD17B2 P37059 14/20 0.45
CFTR P13569 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B1 P14061 4/20 0.40

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
SCHEMBL4901202 0.88 KDM4E (0.54) KDM4EGLAGAAHSD17B2CFTR
SCHEMBL3056728 0.87 KDM4E (0.60) KDM4EGLAGAAHSD17B2HSD17B1
SCHEMBL10749314 0.82 KDM4E (0.62) KDM4EGLAGAAHSD17B2MAPT
SCHEMBL4898591 0.82 KDM4E (0.54) KDM4EGLAGAAHSD17B2CFTR
SCHEMBL3075472 0.82 KDM4E (0.54) KDM4EGLAGAAHSD17B2CFTR
SCHEMBL4667356 0.80 HSD17B2 (0.46) KDM4EHSD17B2HSD17B1
SCHEMBL3082981 0.80 KDM4E (0.46) KDM4EGAAHSD17B2HSD17B1
SCHEMBL3088026 0.79 HSD17B2 (0.45) KDM4EHSD17B2HSD17B1
SCHEMBL3081670 0.79 HSD17B2 (0.42) HSD17B2HSD17B1
SCHEMBL4667450 0.76 HSD17B2 (0.38) KDM4EGLAGAAHSD17B2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160150782-A1 USE OF SELECTED PYRIDONE CARBOXAMIDES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2016-06-02 US disclosed
US-9102623-B2 Pyridinecarboxamides, useful-plant-protecting composition comprising them and processes for their preparation and their use BAYER CROPSCIENCE AG (DE) 2015-08-11 US disclosed
US-20120252670-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARATION AND THEIR USE ZIEMER FRANK (DE) 2012-10-04 US disclosed
US-20080269059-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARTION AND THEIR USE BAYER CROPSCIENCE AG (DE) 2008-10-30 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 (3 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-20120252670-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARATION AND THEIR USE CYC1, CYCS, CBR3 KDM4E 740/4885GLA 1905/4885GAA 3433/4885
US-20160150782-A1 USE OF SELECTED PYRIDONE CARBOXAMIDES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS PDXK, PLPBP, PNPO KDM4E 1838/4885GLA 653/4885GAA 1006/4885
US-20080269059-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARTION AND THEIR USE CYC1, PYCR1, CBR3 KDM4E 826/4885GLA 2012/4885GAA 3296/4885

“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.