SCHEMBL6034145

SCHEMBL6034145

NNC(=O)CSc1nc2sc(-c3ccccc3)cc2c(=O)n1-c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.82
▸ KDM4E B2RXH2 2/20 0.82
▸ MAPT P10636 1/20 0.82
▸ TGM2 P21980 13/20 0.66
▸ HPGD P15428 2/20 0.65
▸ NPSR1 Q6W5P4 1/20 0.62
▸ CYP1A2 P05177 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ ATM Q13315 1/20 0.57
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53

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
SCHEMBL6037637 0.82 ALDH1A1 (0.70) ALDH1A1KDM4EMAPTHPGDNPSR1
SCHEMBL5807368 0.80 ALDH1A1 (0.64) ALDH1A1KDM4EMAPTHPGDNPSR1
SCHEMBL6034185 0.80 TGM2 (1.00) ALDH1A1TGM2NPSR1MEN1KMT2A
SCHEMBL6034944 0.78 TGM2 (1.00) ALDH1A1KDM4ETGM2NPSR1MEN1
SCHEMBL6037616 0.78 TGM2 (1.00) TGM2
SCHEMBL15768048 0.76 TGM2 (0.76) ALDH1A1TGM2
SCHEMBL6037646 0.75 TGM2 (1.00) TGM2
SCHEMBL6034056 0.75 TGM2 (1.00) TGM2
SCHEMBL6037620 0.75 TGM2 (1.00) TGM2
SCHEMBL6037638 0.74 TGM2 (1.00) TGM2

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 ALDH1A1 3116/4885KDM4E 1774/4885MAPT 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.

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