SCHEMBL6773586

SCHEMBL6773586

Cc1ccc(Br)cc1Cn1c(CO)nn(C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.43
TSHR P16473 1/20 0.43
TP53 P04637 4/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38
MAPK8 P45983 1/20 0.33
ROCK2 O75116 2/20 0.33
NPC1 O15118 1/20 0.33
PTGER1 P34995 1/20 0.32
AKR1B1 P15121 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
SETDB1 Q15047 1/20 0.32

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
SCHEMBL6774478 0.81 HPGD (0.49) TNFTSHRTP53MAPTLMNA
SCHEMBL7667201 0.79 TP53 (0.40) TP53MAPTLMNAPOLBPTGER1
SCHEMBL6771362 0.79 TP53 (0.40) TP53MAPTLMNAHPGDPOLB
SCHEMBL6767732 0.78 TNF (0.40) TNFTSHRTP53MAPTLMNA
SCHEMBL6770423 0.78 TP53 (0.39) TSHRTP53MAPTLMNAHPGD
SCHEMBL26714067 0.76 BRD9 (0.36) TSHRTP53LMNAHPGDMAPK8
SCHEMBL15560565 0.71 TSHR (0.72) TNFTSHRTP53MAPTPOLB
SCHEMBL606473 0.69 PTGDR2 (0.44) MAPTLMNAHPGDNPC1MEN1
SCHEMBL22224702 0.66 GSK3A (0.41)
SCHEMBL7671570 0.66 PIK3R1 (0.38) TP53MAPTLMNAPOLBMEN1

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 TNF 4777/4885TSHR 2768/4885TP53 2609/4885
US-20030119670-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof CYP51A1, DPM1, CYP1A1 TNF 4777/4885TSHR 2768/4885TP53 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.