SCHEMBL6034185

SCHEMBL6034185

NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 3/20 1.00
▸ ALDH1A1 P00352 7/20 0.66
▸ LMNA P02545 2/20 0.66
▸ TSHR P16473 1/20 0.66
▸ POLB P06746 2/20 0.63
▸ L3MBTL1 Q9Y468 2/20 0.63
▸ GRK2 P25098 1/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ CTDSP1 Q9GZU7 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ PDE7A Q13946 2/20 0.63
▸ HSP90AA1 P07900 2/20 0.61
▸ HSP90AB1 P08238 2/20 0.61
▸ PABPC1 P11940 1/20 0.61
▸ RAB9A P51151 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60

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
SCHEMBL15768048 0.87 TGM2 (0.76) TGM2ALDH1A1
SCHEMBL14010913 0.86 TGM2 (0.75) TGM2ALDH1A1LMNATSHRL3MBTL1
SCHEMBL6034145 0.80 ALDH1A1 (0.82) TGM2ALDH1A1KMT2AMEN1NPSR1
SCHEMBL6037646 0.79 TGM2 (1.00) TGM2
SCHEMBL6033987 0.79 SMN1; SMN2 (0.75) TGM2ALDH1A1LMNATSHRL3MBTL1
SCHEMBL18239988 0.78 PDE7A (1.00) TGM2ALDH1A1TSHRMAPK1PDE7A
SCHEMBL14697310 0.77 MAPT (0.80) TGM2ALDH1A1POLBL3MBTL1GRK2
SCHEMBL9671609 0.77 PDE7A (1.00) ALDH1A1TSHRMAPK1PDE7ARAB9A
SCHEMBL6033983 0.76 TGM2 (0.74) TGM2
SCHEMBL16291369 0.75 PDE7A (0.70) TGM2ALDH1A1LMNATSHRPDE7A

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 3116/4885LMNA 4728/4885

“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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