SCHEMBL22001831

SCHEMBL22001831

CCCCCC/C(=N\OC(C)O)C(=O)c1cc2ccc(N(CC)CC)cc2oc1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.53
▸ MAPT P10636 8/20 0.53
▸ KMT2A Q03164 8/20 0.53
▸ ALDH1A1 P00352 5/20 0.53
▸ KDM4E B2RXH2 5/20 0.53
▸ MAOB P27338 4/20 0.53
▸ HPGD P15428 4/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ ATM Q13315 3/20 0.53
▸ USP2 O75604 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ SLC16A3 O15427 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ SLC16A1 P53985 1/20 0.53
▸ CYP19A1 P11511 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ STAT3 P40763 1/20 0.44
▸ STAT1 P42224 1/20 0.44

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
SCHEMBL22001403 0.87 MEN1 (0.58) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL22001536 0.85 CYP2C19 (0.56) KMT2AALDH1A1KDM4EMAOBHPGD
SCHEMBL22001538 0.85 MAOB (0.42) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL22001829 0.82 MAOB (0.40) MEN1KMT2AALDH1A1KDM4EMAOB
SCHEMBL22001542 0.79 MEN1 (0.61) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL13432119 0.75 MAOB (0.76) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL13840825 0.75 MAOB (0.76) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL17737793 0.74 KMT2A (0.65) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL23239782 0.73 MAOB (0.58) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL23212913 0.73 MEN1 (0.71) MEN1MAPTKMT2AALDH1A1KDM4E

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-20200148660-A1 COUMARIN OXIME ESTER COMPOUNDS, PREPARATION AND USE THEREOF HUBEI GURUN TECHNOLOGY CO. LTD (CN) 2020-05-14 — — 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-20200148660-A1 COUMARIN OXIME ESTER COMPOUNDS, PREPARATION AND USE THEREOF CBR3, POR, CYP3A4 MEN1 3755/4885MAPT 1764/4885KMT2A 1311/4885

“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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