SCHEMBL6770423

SCHEMBL6770423

Cc1ccc(Br)cc1Cn1c(C(F)F)nn(C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.37
AKR1B1 P15121 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NMT1 P30419 1/20 0.31
MAOB P27338 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.30
MAPK8 P45983 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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 0.82 TP53 (0.43) TP53LMNAMAPTTSHRMEN1
SCHEMBL6813578 0.81 TP53 (0.37) TP53LMNAMAPTTSHRMEN1
SCHEMBL6772157 0.81 TP53 (0.38) TP53LMNAMAPTMEN1KMT2A
SCHEMBL6768635 0.80 TP53 (0.41) TP53LMNAMAPTTSHRMEN1
SCHEMBL6773984 0.80 TP53 (0.36) TP53LMNAMAPTTSHRHPGD
SCHEMBL6778682 0.79 GRIN1 (0.42) TP53LMNAMAPTHPGD
SCHEMBL6773586 0.78 TNF (0.43) TP53LMNAMAPTPOLBAKR1B1
SCHEMBL7667201 0.78 TP53 (0.40) TP53LMNAMAPTPOLB
SCHEMBL6771362 0.78 TP53 (0.40) TP53LMNAMAPTPOLBMEN1
SCHEMBL6772800 0.78 TP53 (0.35) TP53LMNAMAPTMEN1KMT2A

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.