SCHEMBL6768635

SCHEMBL6768635

Cc1cccc(-c2ccc(C)c(Cn3c(C(F)F)nn(C)c3=O)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GRIN1 Q05586 7/20 0.37
GRIN2B Q13224 7/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.35
TDP2 O95551 1/20 0.34
GRM2 Q14416 1/20 0.34

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
SCHEMBL6768769 0.91 HPGD (0.40) TP53MAPTLMNAMEN1KMT2A
SCHEMBL6778682 0.90 GRIN1 (0.42) TP53MAPTLMNAGRIN1GRIN2B
SCHEMBL6886472 0.90 TP53 (0.43) TP53MAPTLMNAMEN1KMT2A
SCHEMBL6772393 0.87 GRIN1 (0.44) GRIN1GRIN2B
SCHEMBL6774371 0.87 BRD4 (0.41) MAPTGRIN1GRIN2BGRM2
SCHEMBL6813578 0.86 TP53 (0.37) TP53MAPTLMNAMEN1KMT2A
SCHEMBL6772157 0.85 TP53 (0.38) TP53MAPTLMNAMEN1KMT2A
SCHEMBL6771885 0.84 METAP2 (0.36) TP53MAPTLMNAMEN1KMT2A
SCHEMBL6809697 0.82 LMNA (0.40) TP53MAPTLMNAKMT2AHPGD
SCHEMBL6771301 0.82 MAPT (0.35) TP53MAPTLMNAMEN1KMT2A

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 2609/4885MAPT 604/4885LMNA 3044/4885
US-20030119670-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof CYP51A1, DPM1, CYP1A1 TP53 2609/4885MAPT 604/4885LMNA 3044/4885

“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.