SCHEMBL547693

SCHEMBL547693

O=C(O)CCCCCCC(=O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.55
ALDH1A1 P00352 3/20 0.55
NPC1 O15118 1/20 0.55
POLB P06746 1/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55
HDAC6 Q9UBN7 3/20 0.53
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
MAPT P10636 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53

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
SCHEMBL629973 1.00 NPSR1 (0.55) NPSR1ALDH1A1NPC1POLBHTT
SCHEMBL28575888 0.94 NPSR1 (0.57) NPSR1ALDH1A1NPC1POLBHTT
SCHEMBL17131834 0.94 NPSR1 (0.61) NPSR1ALDH1A1NPC1POLBHTT
SCHEMBL629972 0.94 NPSR1 (0.61) NPSR1ALDH1A1NPC1POLBHTT
SCHEMBL6673813 0.92 NPSR1 (0.63) NPSR1ALDH1A1NPC1POLBHTT
SCHEMBL10596450 0.87 NPSR1 (0.53) NPSR1ALDH1A1NPC1POLBHTT
SCHEMBL1769746 0.87 NPSR1 (0.53) NPSR1ALDH1A1NPC1POLBHTT
SCHEMBL8854160 0.86 RAB9A (0.61) NPSR1ALDH1A1NPC1POLBHTT
SCHEMBL18240156 0.85 NPC1 (0.54) NPSR1ALDH1A1NPC1POLBHTT
SCHEMBL18240146 0.85 NPC1 (0.54) NPSR1ALDH1A1NPC1POLBHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110577-B2 Histone deacetylase inhibitors QUEEN MARY & WESTFIELD COLLEGE (GB) 2012-02-07 US disclosed
US-20100160392-A1 HISTONE DEACETYLASE INHIBITORS QUEEN MARY & WESTFIELD COLLEGE (GB) 2010-06-24 US disclosed
EP-2086950-A2 HISTONE DEACETYLASE INHIBITORS Queen Mary and Westfield College (GB) 2009-08-12 EP disclosed
WO-2008047138-A2 HISTONE DEACETYLASE INHIBITORS QUEEN MARY AND WESTFIELD COLLEGE (GB) 2008-04-24 WO 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-20100160392-A1 HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC4 NPSR1 519/4885ALDH1A1 2757/4885NPC1 2144/4885

“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.