SCHEMBL6774371

SCHEMBL6774371

COc1cccc(-c2ccc(C)c(Cn3c(C(F)F)nn(C)c3=O)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
MAPT P10636 1/20 0.39
GNRHR P30968 5/20 0.38
DHODH Q02127 1/20 0.37
ALKBH3 Q96Q83 1/20 0.37
ROCK2 O75116 1/20 0.36
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
MCTS1 Q9ULC4 1/20 0.36
IDH1 O75874 1/20 0.36
CYP17A1 P05093 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
GRM2 Q14416 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL6768635 0.87 TP53 (0.41) MAPTGRIN1GRIN2BGRM2
SCHEMBL6768769 0.87 HPGD (0.40) MAPTGRM2
SCHEMBL6778682 0.86 GRIN1 (0.42) MAPTDHODHGRIN1GRIN2B
SCHEMBL6886472 0.83 TP53 (0.43) MAPT
SCHEMBL6772393 0.83 GRIN1 (0.44) GRIN1GRIN2B
SCHEMBL6778382 0.83 METAP2 (0.38) MAPTROCK2GRIN1GRIN2B
SCHEMBL6813578 0.82 TP53 (0.37) MAPTROCK2GRIN1GRIN2B
SCHEMBL6772157 0.81 TP53 (0.38) MAPTGRIN1GRIN2B
SCHEMBL6771885 0.80 METAP2 (0.36) MAPT
SCHEMBL6809697 0.79 LMNA (0.40) MAPTGNRHRDHODHROCK2

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 BRD4 2447/4885MAPT 604/4885GNRHR 4358/4885
US-20030119670-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof CYP51A1, DPM1, CYP1A1 BRD4 2447/4885MAPT 604/4885GNRHR 4358/4885

“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.