SCHEMBL21581865

SCHEMBL21581865

CC(C)C(=O)NCCNc1ccc(N=O)c2nonc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ GSTM2 P28161 1/20 0.36
▸ HDAC3 O15379 3/20 0.35
▸ HDAC4 P56524 3/20 0.35
▸ HDAC1 Q13547 3/20 0.35
▸ HDAC7 Q8WUI4 3/20 0.35
▸ HDAC2 Q92769 3/20 0.35
▸ HDAC10 Q969S8 3/20 0.35
▸ HDAC11 Q96DB2 3/20 0.35
▸ HDAC8 Q9BY41 3/20 0.35
▸ HDAC6 Q9UBN7 3/20 0.35
▸ HDAC9 Q9UKV0 3/20 0.35
▸ HDAC5 Q9UQL6 3/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 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 0.77 GSTM2 (0.54) ALDH1A1MAPTHPGDGSTM2HDAC3
SCHEMBL13438510 0.76 GSTM2 (0.39) ALDH1A1MAPTTSHRHSD17B10GSTM2
SCHEMBL12966304 0.76 GSTM2 (0.44) GSTM2HDAC3HDAC4HDAC1HDAC7
SCHEMBL15507616 0.74 HDAC3 (0.47) ALDH1A1HPGDHSD17B10GSTM2HDAC3
SCHEMBL15507465 0.74 HDAC3 (0.47) ALDH1A1HPGDHSD17B10GSTM2HDAC3
SCHEMBL12241928 0.72 GSTM2 (0.44) GSTM2HDAC3HDAC4HDAC1HDAC7
SCHEMBL13650766 0.71 MEN1 (0.36) ALDH1A1MAPTKMT2ARECQLLMNA
SCHEMBL13267933 0.68 GSTM2 (0.40) GSTM2HDAC3HDAC4HDAC1HDAC7
SCHEMBL20440864 0.65 TP53 (0.44) ALDH1A1MAPTTSHRHSD17B10KMT2A
SCHEMBL17635582 0.64 HSP90AA1 (0.43) MAPTHSD17B10CYP2C19CYP2D6

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-10493159-B2 Protein transduction domains mimics UNIVERSITY OF MASSACHUSETTS (US) 2019-12-03 — — 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-10493159-B2 Protein transduction domains mimics PHAX, GHITM, MAVS ALDH1A1 4844/4885MAPT 1592/4885HPGD 4344/4885

“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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