SCHEMBL6033936

SCHEMBL6033936

Cc1sc2nc(S)n(-c3ccccc3)c(=O)c2c1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 0.57
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CXCR5 P32302 1/20 0.53
APLNR P35414 1/20 0.53
CCR6 P51684 1/20 0.53
ALDH1A1 P00352 9/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
RXFP1 Q9HBX9 1/20 0.48
POLB P06746 3/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL6037636 0.76 TGM2 (0.63) TGM2MEN1KMT2ACXCR5APLNR
SCHEMBL3754164 0.75 ALDH1A1 (0.56) TGM2MEN1KMT2ACXCR5APLNR
SCHEMBL6034875 0.74 TGM2 (0.56) TGM2MEN1KMT2AALDH1A1HTT
SCHEMBL6034989 0.73 TGM2 (0.73) TGM2MEN1KMT2ACXCR5APLNR
SCHEMBL6034944 0.73 TGM2 (1.00) TGM2MEN1KMT2ACXCR5APLNR
SCHEMBL6034217 0.73 TGM2 (0.78) TGM2MEN1KMT2ACXCR5APLNR
SCHEMBL6034411 0.72 TGM2 (1.00) TGM2MEN1KMT2ACXCR5APLNR
SCHEMBL6033361 0.71 RAB9A (0.55) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL9670318 0.69 PIK3CD (0.49) ALDH1A1KDM4EHPGDPOLBHTT
SCHEMBL12632698 0.68 MAPT (0.52) MEN1KMT2AALDH1A1KDM4EHPGD

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 1/4885MEN1 2068/4885KMT2A 1045/4885

“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.