SCHEMBL6774478

SCHEMBL6774478

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.49
TNF P01375 1/20 0.46
TSHR P16473 1/20 0.46
ROCK2 O75116 4/20 0.40
LMNA P02545 4/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
XBP1 P17861 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 1/20 0.37
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
G6PD P11413 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL7666815 0.85 HPGD (0.44) HPGDROCK2LMNAMAPTNPSR1
SCHEMBL7667782 0.82 HPGD (0.43) HPGDLMNAMAPTNPSR1CYP1A2
SCHEMBL6773586 0.81 TNF (0.43) HPGDTNFTSHRROCK2LMNA
SCHEMBL6770439 0.81 HPGD (0.41) HPGDLMNAMAPTNPSR1CYP1A2
SCHEMBL21675908 0.81 HPGD (0.41) HPGDLMNAMAPTNPSR1CYP1A2
SCHEMBL7671615 0.81 HPGD (0.41) HPGDLMNAMAPTNPSR1CYP1A2
SCHEMBL7665242 0.81 HPGD (0.41) HPGDLMNAMAPTNPSR1CYP1A2
SCHEMBL6768769 0.80 HPGD (0.40) HPGDTSHRLMNAMAPTNPSR1
SCHEMBL6776723 0.80 AGTR1 (0.43) HPGDTNFTSHRCYP1A2KDM4E
SCHEMBL7667457 0.79 HPGD (0.40) HPGDLMNAMAPTNPSR1CYP1A2

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 4076/4885TNF 4777/4885TSHR 2768/4885
US-20030119670-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof CYP51A1, DPM1, CYP1A1 HPGD 4076/4885TNF 4777/4885TSHR 2768/4885

“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.