SCHEMBL6773244

SCHEMBL6773244

Cc1ccc(Br)cc1CN=C=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 4/20 0.38
TRPA1 O75762 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 4/20 0.33
FFAR4 Q5NUL3 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
SETDB1 Q15047 1/20 0.31

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
SCHEMBL14916725 0.81 TAAR1 (0.47) PYCR1TRPA1CYP3A4MAPTTP53
SCHEMBL460468 0.79 CYP3A4 (0.35) TRPA1CYP3A4
SCHEMBL29387408 0.79 CYP3A4 (0.35) TRPA1CYP3A4
SCHEMBL3923111 0.78 SLC6A4 (0.35) TRPA1CYP3A4MAPTALDH1A1MEN1
SCHEMBL459569 0.78 NPSR1 (0.37) TRPA1CYP3A4ALDH1A1
SCHEMBL1758635 0.77 PYCR1 (0.37) PYCR1MAPTFFAR4TP53POLB
SCHEMBL7750833 0.76 PYCR1 (0.46) PYCR1
SCHEMBL483400 0.76 CYP3A4 (0.58) TRPA1CYP3A4
SCHEMBL29226224 0.76 BACE1 (0.38) PYCR1
SCHEMBL8365116 0.76 SMN1; SMN2 (0.41) PYCR1MAPTFFAR4TP53POLB

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 PYCR1 1424/4885TRPA1 692/4885CYP3A4 36/4885
US-20030119670-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof CYP51A1, DPM1, CYP1A1 PYCR1 1424/4885TRPA1 692/4885CYP3A4 36/4885

“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.