SCHEMBL6773977

SCHEMBL6773977

Cc1ccc(-c2cccs2)cc1Cn1c(C(F)F)nn(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.37
LMNA P02545 2/20 0.36
CHEK1 O14757 2/20 0.36
PDE5A O76074 1/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 3/20 0.34
SRD5A1 P18405 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 2/20 0.34
HTR1D P28221 3/20 0.33
HTR1B P28222 3/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
MAPK14 Q16539 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL6768677 0.82 CHEK1 (0.37) MAPTTP53LMNACHEK1PDE5A
SCHEMBL6886472 0.82 TP53 (0.43) MAPTTP53LMNAHPGDALDH1A1
SCHEMBL6772800 0.82 TP53 (0.35) MAPTTP53LMNACHEK1HPGD
SCHEMBL6768635 0.81 TP53 (0.41) MAPTTP53LMNAHPGDGAA
SCHEMBL6813578 0.81 TP53 (0.37) MAPTTP53LMNAHPGDMEN1
SCHEMBL6778682 0.81 GRIN1 (0.42) MAPTTP53LMNAHPGD
SCHEMBL6772393 0.80 GRIN1 (0.44)
SCHEMBL6771980 0.80 LMNA (0.38) MAPTTP53LMNAHPGD
SCHEMBL6770423 0.77 TP53 (0.39) MAPTTP53LMNAHPGDMEN1
SCHEMBL6778382 0.76 METAP2 (0.38) MAPTTP53LMNAHPGDMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20030119670-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof CYP51A1, DPM1, CYP1A1 MAPT 604/4885TP53 2609/4885LMNA 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.