SCHEMBL6772800

SCHEMBL6772800

Cc1ccc(-c2ccsc2)cc1Cn1c(C(F)F)nn(C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
CHEK1 O14757 2/20 0.34
PTPRC P08575 1/20 0.34
PDE10A Q9Y233 1/20 0.34
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP17A1 P05093 1/20 0.31
HTR1D P28221 1/20 0.31
CYP2A6 P11509 1/20 0.31
TGFBR1 P36897 1/20 0.31
DRD2 P14416 1/20 0.31
HTR6 P50406 1/20 0.31
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30

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
SCHEMBL6886472 0.85 TP53 (0.43) TP53LMNAMAPTHPGDMEN1
SCHEMBL6813578 0.84 TP53 (0.37) TP53LMNAMAPTHPGDMEN1
SCHEMBL6772157 0.83 TP53 (0.38) TP53LMNAMAPTHPGDMEN1
SCHEMBL6768677 0.83 CHEK1 (0.37) TP53LMNAMAPTCHEK1PDE10A
SCHEMBL6768635 0.82 TP53 (0.41) TP53LMNAMAPTHPGDMEN1
SCHEMBL6773977 0.82 MAPT (0.41) TP53LMNAMAPTCHEK1HPGD
SCHEMBL6778682 0.81 GRIN1 (0.42) TP53LMNAMAPTHPGD
SCHEMBL6771980 0.80 LMNA (0.38) TP53LMNAMAPTHPGD
SCHEMBL6772393 0.79 GRIN1 (0.44)
SCHEMBL6770423 0.78 TP53 (0.39) TP53LMNAMAPTHPGDMEN1

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 TP53 2609/4885LMNA 3044/4885MAPT 604/4885
US-20030119670-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof CYP51A1, DPM1, CYP1A1 TP53 2609/4885LMNA 3044/4885MAPT 604/4885

“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.