SCHEMBL13123207

SCHEMBL13123207

CNCCOC(=O)c1ccc(/N=C2\C(=O)C3=C(OC(C)(C)CC3)c3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 9/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ MAPT P10636 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ THRB P10828 3/20 0.47
▸ IDO1 P14902 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ CES2 O00748 1/20 0.47
▸ GMNN O75496 1/20 0.47
▸ TDP2 O95551 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47

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
SCHEMBL6033555 0.89 MALT1 (0.53) MALT1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL6033559 0.89 MALT1 (0.53) MALT1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL3797546 0.87 MALT1 (0.51) MALT1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL3797393 0.85 MALT1 (0.41) MALT1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL3797398 0.85 MALT1 (0.41) MALT1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL13123213 0.85 MALT1 (0.40) MALT1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL13123195 0.83 MALT1 (0.47) MALT1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL13123193 0.81 MALT1 (0.38) MALT1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL18774056 0.78 MALT1 (0.65) MALT1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL12473069 0.78 MALT1 (0.65) MALT1ALDH1A1MAPTSMN1; SMN2KDM4E

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-7812051-B2 Pharmaceutical compositions of β-lapachone and β-lapachone analogs with improved tumor targeting potential ARQULE, INC. (US) 2010-10-12 — — US disclosed
US-20090226395-A1 Pharmaceutical compositions of beta-lapachone and beta-lapachone analogs with improved tumor targeting potential ARQULE, INC. (US) 2009-09-10 — — 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-20090226395-A1 Pharmaceutical compositions of beta-lapachone and beta-lapachone analogs with improved tumor targeting potential NQO1, KEAP1, DLD MALT1 2824/4885ALDH1A1 929/4885MAPT 2849/4885

“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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