SCHEMBL17788964

SCHEMBL17788964

O=Nc1ccc(NCCO)c2nonc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTM2 P28161 1/20 0.47
▸ MAPT P10636 6/20 0.38
▸ GAA P10253 2/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ POLB P06746 2/20 0.37
▸ HDAC3 O15379 3/20 0.36
▸ HDAC4 P56524 3/20 0.36
▸ HDAC1 Q13547 3/20 0.36
▸ HDAC7 Q8WUI4 3/20 0.36
▸ HDAC2 Q92769 3/20 0.36
▸ HDAC10 Q969S8 3/20 0.36
▸ HDAC11 Q96DB2 3/20 0.36
▸ HDAC8 Q9BY41 3/20 0.36
▸ HDAC6 Q9UBN7 3/20 0.36
▸ HDAC9 Q9UKV0 3/20 0.36
▸ HDAC5 Q9UQL6 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ BCL6 P41182 1/20 0.35
▸ BCOR Q6W2J9 1/20 0.35
▸ HTT P42858 3/20 0.35

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
SCHEMBL16310249 0.91 GSTM2 (0.54) GSTM2MAPTALDH1A1POLBHDAC3
SCHEMBL13438510 0.85 GSTM2 (0.39) GSTM2MAPTALDH1A1HDAC3HDAC4
SCHEMBL12432365 0.82 GSTM2 (0.42) GSTM2POLBHDAC3HDAC4HDAC1
SCHEMBL15507622 0.82 GSTM2 (0.43) GSTM2GAAALDH1A1POLBHDAC3
SCHEMBL12966304 0.81 GSTM2 (0.44) GSTM2HDAC3HDAC4HDAC1HDAC7
SCHEMBL15507621 0.81 MEN1 (0.36) GSTM2ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL15507618 0.80 HDAC3 (0.47) GSTM2ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL15507466 0.80 HDAC3 (0.47) GSTM2ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL15507616 0.80 HDAC3 (0.47) GSTM2ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL15507465 0.80 HDAC3 (0.47) GSTM2ALDH1A1HDAC3HDAC4HDAC1

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-20160152567-A1 NOVEL ALLOSTERIC INHIBITORS OF PROTEASOME AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SY STEM (US) 2016-06-02 — — 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-20160152567-A1 NOVEL ALLOSTERIC INHIBITORS OF PROTEASOME AND METHODS OF USE THEREOF PSME3, PSMB1, PSMB2 GSTM2 1955/4885MAPT 2575/4885GAA 231/4885

“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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