SCHEMBL6770439

SCHEMBL6770439

Cc1ccc(-c2ccccc2)cc1Cn1c(C=O)nn(C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
LMNA P02545 5/20 0.38
TP53 P04637 3/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
BRD4 O60885 2/20 0.37
NPSR1 Q6W5P4 3/20 0.36
HTT P42858 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
XBP1 P17861 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
G6PD P11413 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRM2 Q14416 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7667782 0.85 HPGD (0.43) HPGDLMNATP53MAPTBRD4
SCHEMBL7666815 0.85 HPGD (0.44) HPGDLMNATP53MAPTMEN1
SCHEMBL21675908 0.81 HPGD (0.41) HPGDLMNATP53MAPTNPSR1
SCHEMBL7665242 0.81 HPGD (0.41) HPGDLMNATP53MAPTMEN1
SCHEMBL6774478 0.81 HPGD (0.49) HPGDLMNATP53MAPTALDH1A1
SCHEMBL7671615 0.81 HPGD (0.41) HPGDLMNATP53MAPTNPSR1
SCHEMBL6768769 0.80 HPGD (0.40) HPGDLMNATP53MAPTMEN1
SCHEMBL7667457 0.79 HPGD (0.40) HPGDLMNATP53MAPTBRD4
SCHEMBL7669141 0.72 TP53 (0.44) HPGDLMNATP53MAPTALDH1A1
SCHEMBL7672496 0.71 TP53 (0.41) HPGDLMNATP53MAPTALDH1A1

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 HPGD 4076/4885LMNA 3044/4885TP53 2609/4885
US-20030119670-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof CYP51A1, DPM1, CYP1A1 HPGD 4076/4885LMNA 3044/4885TP53 2609/4885

“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.