SCHEMBL6778682

SCHEMBL6778682

Cc1ccc(-c2cccc(F)c2)cc1Cn1c(C(F)F)nn(C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 9/20 0.42
GRIN2B Q13224 9/20 0.42
TNKS2 Q9H2K2 1/20 0.37
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
PTGER2 P43116 1/20 0.35
DCLRE1B Q9H816 1/20 0.34
PGR P06401 1/20 0.34
DHODH Q02127 1/20 0.34

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
SCHEMBL6768635 0.90 TP53 (0.41) GRIN1GRIN2BHPGDLMNATP53
SCHEMBL6768769 0.90 HPGD (0.40) HPGDLMNATP53MAPT
SCHEMBL6813578 0.90 TP53 (0.37) GRIN1GRIN2BTNKS2HPGDLMNA
SCHEMBL6886472 0.86 TP53 (0.43) HPGDLMNATP53MAPT
SCHEMBL6774371 0.86 BRD4 (0.41) GRIN1GRIN2BMAPTDHODH
SCHEMBL6772393 0.86 GRIN1 (0.44) GRIN1GRIN2B
SCHEMBL6772157 0.84 TP53 (0.38) GRIN1GRIN2BHPGDLMNATP53
SCHEMBL6809697 0.83 LMNA (0.40) TNKS2HPGDLMNATP53MAPT
SCHEMBL6771885 0.83 METAP2 (0.36) HPGDLMNATP53MAPT
SCHEMBL7667864 0.82 GRIN1 (0.42) GRIN1GRIN2BTNKS2HPGDLMNA

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-20040167193-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-26 US disclosed
US-6762197-B2 FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-13 US disclosed
US-20030119670-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-06-26 US disclosed
EP-1238975-A1 DIFLUOROMETHYLTRIAZOLONE COMPOUNDS, USE OF THE SAME AND INTERMEDIATES FOR THE PRODUCTION THEREOF Sumitomo Chemical Company, Limited (JP) 2002-09-11 EP 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-20040167193-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof CYP51A1, DPM1, CYP1A1 GRIN1 837/4885GRIN2B 3377/4885TNKS2 3894/4885
US-20030119670-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof CYP51A1, DPM1, CYP1A1 GRIN1 837/4885GRIN2B 3377/4885TNKS2 3894/4885

“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.