SCHEMBL6033368

SCHEMBL6033368

O=c1c2c(-c3ccccc3)csc2nc(S)n1-c1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 8/20 0.60
ALDH1A1 P00352 4/20 0.49
MAPT P10636 4/20 0.49
KDM4E B2RXH2 3/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 2/20 0.48
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 1/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL6034875 0.89 TGM2 (0.56) TGM2ALDH1A1MAPTHSD17B10GAA
SCHEMBL6034131 0.82 TGM2 (0.60) TGM2ALDH1A1MAPTHSD17B10GAA
SCHEMBL6034224 0.81 TGM2 (0.59) TGM2ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL6033995 0.81 TGM2 (0.59) TGM2ALDH1A1MAPTKDM4ELMNA
SCHEMBL6034917 0.81 TGM2 (0.59) TGM2ALDH1A1MAPTLMNAHSD17B10
SCHEMBL6033953 0.81 TGM2 (0.62) TGM2ALDH1A1MAPTHSD17B10GAA
SCHEMBL6034265 0.81 ALDH1A1 (0.52) TGM2ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL6033961 0.79 TGM2 (0.62) TGM2ALDH1A1MAPTKDM4ELMNA
SCHEMBL6034346 0.79 MAPK1 (0.63) TGM2ALDH1A1MAPTKDM4ELMNA
SCHEMBL6034127 0.78 TGM2 (0.58) TGM2ALDH1A1MAPTKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183759-A1 Tissue transglutaminase inhibitors BRIGHAM AND WOMEN'S HOSPITAL, INC., THE 2006-08-17 US disclosed
WO-2006060702-A1 SUBSTITUED 3,4-DIHYDROTHIENO [2,3-D] PYRMIDINES AS TISSUE TRANSGLUTAMINASE INHIBITORS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-06-08 WO 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-20060183759-A1 Tissue transglutaminase inhibitors TGM2, HNMT, TPMT TGM2 1/4885ALDH1A1 3116/4885MAPT 40/4885

“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.