SCHEMBL6771885

SCHEMBL6771885

Cc1cccc(-c2ccc(C)c(Cn3c(C(F)F)nn(C)c3=O)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.36
HPGD P15428 1/20 0.35
TP53 P04637 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
STK3 Q13188 10/20 0.33
SIK2 Q9H0K1 10/20 0.33
STK26 Q9P289 10/20 0.33
STK24 Q9Y6E0 10/20 0.33
STK4 Q13043 9/20 0.33
TGFBR1 P36897 1/20 0.33
CYP2A6 P11509 1/20 0.33
PAK1 Q13153 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL6771301 0.90 MAPT (0.35) METAP2HPGDTP53LMNAMAPT
SCHEMBL6778382 0.88 METAP2 (0.38) METAP2HPGDTP53LMNAMAPT
SCHEMBL6768635 0.84 TP53 (0.41) HPGDTP53LMNAMAPTMEN1
SCHEMBL6778682 0.83 GRIN1 (0.42) HPGDTP53LMNAMAPT
SCHEMBL6768214 0.82 TP53 (0.34) HPGDTP53LMNAMAPTMEN1
SCHEMBL6886472 0.82 TP53 (0.43) HPGDTP53LMNAMAPTMEN1
SCHEMBL6771980 0.82 LMNA (0.38) HPGDTP53LMNAMAPT
SCHEMBL6813578 0.81 TP53 (0.37) HPGDTP53LMNAMAPTMEN1
SCHEMBL6772157 0.80 TP53 (0.38) HPGDTP53LMNAMAPTMEN1
SCHEMBL6772393 0.80 GRIN1 (0.44)

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 METAP2 754/4885HPGD 4076/4885TP53 2609/4885
US-20030119670-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof CYP51A1, DPM1, CYP1A1 METAP2 754/4885HPGD 4076/4885TP53 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.