SCHEMBL6033987

SCHEMBL6033987

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

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.75
▸ ALDH1A1 P00352 7/20 0.72
▸ MEN1 O00255 1/20 0.72
▸ KMT2A Q03164 1/20 0.72
▸ NPSR1 Q6W5P4 3/20 0.69
▸ PDE7A Q13946 1/20 0.67
▸ MAPT P10636 4/20 0.66
▸ NPC1 O15118 1/20 0.66
▸ TP53 P04637 1/20 0.66
▸ RAB9A P51151 1/20 0.66
▸ TGM2 P21980 1/20 0.65
▸ HTT P42858 3/20 0.64
▸ TDP1 Q9NUW8 1/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ LMNA P02545 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ HSP90AA1 P07900 1/20 0.62
▸ HSP90AB1 P08238 1/20 0.62

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
SCHEMBL12888170 0.88 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1KMT2ANPSR1PDE7A
SCHEMBL14010913 0.84 TGM2 (0.75) SMN1; SMN2ALDH1A1MEN1KMT2ANPSR1
SCHEMBL18239988 0.81 PDE7A (1.00) SMN1; SMN2ALDH1A1MEN1KMT2APDE7A
SCHEMBL6037637 0.80 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1MEN1KMT2ANPSR1
SCHEMBL14573524 0.80 MEN1 (0.64) SMN1; SMN2ALDH1A1MEN1KMT2APDE7A
SCHEMBL6034994 0.80 TGM2 (0.72) SMN1; SMN2ALDH1A1MEN1KMT2ANPSR1
SCHEMBL6034185 0.79 TGM2 (1.00) SMN1; SMN2ALDH1A1MEN1KMT2ANPSR1
SCHEMBL12290084 0.77 ALOX15 (0.64) SMN1; SMN2ALDH1A1MEN1KMT2APDE7A
SCHEMBL6034989 0.76 TGM2 (0.73) SMN1; SMN2ALDH1A1MEN1KMT2ANPSR1
SCHEMBL6033420 0.76 TGM2 (0.70) ALDH1A1MEN1KMT2AMAPTTGM2

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 SMN1; SMN2 1897/4885ALDH1A1 3116/4885MEN1 2068/4885

“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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