SCHEMBL6327077

SCHEMBL6327077

CCOC(=O)c1ccc(NC(=O)Nc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C(=O)O)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ KMT2A Q03164 10/20 0.45
▸ MEN1 O00255 9/20 0.45
▸ MAPT P10636 10/20 0.44
▸ USP2 O75604 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ TRPV1 Q8NER1 2/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CSNK2A2 P19784 1/20 0.42
▸ CSNK2B P67870 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ NFKB1 P19838 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
SCHEMBL6324484 0.90 KMT2A (0.47) SMN1; SMN2GAAALDH1A1KMT2AMEN1
SCHEMBL6322762 0.84 MEN1 (0.48) SMN1; SMN2GAAALDH1A1KMT2AMEN1
SCHEMBL6325064 0.73 MAPT (0.55) SMN1; SMN2GAAALDH1A1KMT2AMEN1
SCHEMBL6322386 0.73 TRPV1 (0.53) SMN1; SMN2GAAALDH1A1KMT2AMEN1
SCHEMBL6323329 0.73 MAPT (0.54) SMN1; SMN2GAAALDH1A1KMT2AMEN1
SCHEMBL24233043 0.72 KMT2A (0.71) SMN1; SMN2GAAALDH1A1KMT2AMEN1
SCHEMBL6325807 0.71 TRPV1 (0.51) SMN1; SMN2GAAALDH1A1KMT2AMEN1
SCHEMBL6324443 0.71 MAPT (0.54) SMN1; SMN2GAAALDH1A1KMT2AMEN1
SCHEMBL6324633 0.70 RAB9A (0.56) SMN1; SMN2GAAALDH1A1KMT2AMEN1
SCHEMBL11148491 0.70 MAPT (0.63) SMN1; SMN2GAAALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288290-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-29 — — US 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-20050288290-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 SMN1; SMN2 3646/4885GAA 1488/4885ALDH1A1 3087/4885

“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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