SCHEMBL14025828

SCHEMBL14025828

COC(=O)[C@H]1NC(c2ccc(OC)cc2)[C@@H]([N+](=O)[O-])C1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.46
▸ MAPT P10636 5/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ POLB P06746 2/20 0.39
▸ FABP7 O15540 1/20 0.39
▸ FABP5 Q01469 1/20 0.39
▸ EDNRA P25101 2/20 0.39
▸ BACE1 P56817 1/20 0.38
▸ EDNRB P24530 1/20 0.37
▸ CYP2D6 P10635 1/20 0.36

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
SCHEMBL694516 1.00 GAA (0.46) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL14025826 1.00 GAA (0.46) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL19741607 0.93 GAA (0.48) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL13598060 0.81 GAA (0.46) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL8239221 0.81 GAA (0.46) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL14049530 0.81 GAA (0.46) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL17030267 0.81 POLB (0.44) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL17027865 0.79 GAA (0.45) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL17022321 0.79 GAA (0.45) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL17022320 0.79 GAA (0.45) GAAMAPTALDH1A1MEN1KMT2A

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-20080262073-A1 Pyrrolic Derivatives with Histone Deacetylase Inhibitory Activity FUNDACION CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (CNIO) (ES) 2008-10-23 — — 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-20080262073-A1 Pyrrolic Derivatives with Histone Deacetylase Inhibitory Activity HDAC1, HDAC11, HDAC5 GAA 610/4885MAPT 3317/4885ALDH1A1 469/4885

“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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