SCHEMBL13456457

SCHEMBL13456457

CC(C)(C)OC[C@@H](N)C(=O)NCC(=O)NCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ CYP2C19 P33261 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ APOBEC3A P31941 1/20 0.43
▸ APOBEC3G Q9HC16 1/20 0.43
▸ CA2 P00918 1/20 0.41
▸ MMP2 P08253 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ ADAMTS5 Q9UNA0 1/20 0.39
▸ MEN1 O00255 1/20 0.39

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
SCHEMBL16919022 0.84 L3MBTL1 (0.49) GAAL3MBTL1CYP2C19CYP2C9APOBEC3A
SCHEMBL13456455 0.78 CYP2C9 (0.47) GAAL3MBTL1CYP2C19CYP2C9MMP2
SCHEMBL13456452 0.78 CA2 (0.49) GAAL3MBTL1CYP2C19CYP2C9APOBEC3A
SCHEMBL1576884 0.75 CA12 (0.50) CA2ALDH1A1KMT2AMEN1
SCHEMBL16919021 0.74 TLR2 (0.39) —
SCHEMBL8469243 0.72 MMP2 (0.56) MMP2KMT2AMEN1
SCHEMBL8135728 0.72 MMP2 (0.56) MMP2KMT2AMEN1
SCHEMBL11235864 0.72 L3MBTL1 (0.64) GAAL3MBTL1APOBEC3AAPOBEC3GCA2
SCHEMBL22651724 0.71 MAPK1 (0.33) KMT2AMEN1
SCHEMBL372131 0.71 PPARG (0.51) GAAL3MBTL1CYP2C19CYP2C9APOBEC3A

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-20100068272-A1 HYDROXYAMIDINE AND HYDROXYGUANIDINE COMPOUNDS AS UROKINASE INHIBITORS WILEX AG (DE) 2010-03-18 — — 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-20100068272-A1 HYDROXYAMIDINE AND HYDROXYGUANIDINE COMPOUNDS AS UROKINASE INHIBITORS PLAU, PLAUR, HPN GAA 111/4885L3MBTL1 3291/4885CYP2C19 1728/4885

“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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