SCHEMBL2160841

SCHEMBL2160841

CCCCCCCCONC(=O)c1ccccc1N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.65
HSD17B10 Q99714 5/20 0.65
KDM4E B2RXH2 2/20 0.65
POLB P06746 1/20 0.65
HDAC6 Q9UBN7 4/20 0.53
HDAC3 O15379 3/20 0.53
HDAC4 P56524 3/20 0.53
HDAC1 Q13547 3/20 0.53
HDAC7 Q8WUI4 3/20 0.53
HDAC2 Q92769 3/20 0.53
HDAC10 Q969S8 3/20 0.53
HDAC11 Q96DB2 3/20 0.53
HDAC8 Q9BY41 3/20 0.53
HDAC9 Q9UKV0 3/20 0.53
HDAC5 Q9UQL6 3/20 0.53
TSHR P16473 4/20 0.53
LMNA P02545 2/20 0.53
CYP3A4 P08684 2/20 0.51
MEN1 O00255 1/20 0.51
NR1I2 O75469 1/20 0.51

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
SCHEMBL1558090 0.81 ALDH1A1 (0.59) ALDH1A1HSD17B10KDM4EPOLBTSHR
SCHEMBL27530055 0.80 HDAC3 (0.67) ALDH1A1HDAC6HDAC3HDAC4HDAC1
SCHEMBL28968193 0.80 HDAC3 (0.67) ALDH1A1HDAC6HDAC3HDAC4HDAC1
SCHEMBL5145338 0.80 HDAC3 (0.67) ALDH1A1HDAC6HDAC3HDAC4HDAC1
SCHEMBL28973854 0.80 HDAC3 (0.67) ALDH1A1HDAC6HDAC3HDAC4HDAC1
SCHEMBL27853144 0.80 HDAC3 (0.67) ALDH1A1HDAC6HDAC3HDAC4HDAC1
SCHEMBL8376628 0.80 HDAC6 (0.58) ALDH1A1HSD17B10KDM4EPOLBHDAC6
SCHEMBL10785014 0.80 ALDH1A1 (0.49) ALDH1A1HSD17B10KDM4EHDAC6HDAC3
SCHEMBL143432 0.80 ALDH1A1 (0.49) ALDH1A1HSD17B10KDM4EHDAC6HDAC3
SCHEMBL5674958 0.79 NAAA (0.70) ALDH1A1HSD17B10KDM4EPOLBHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9089515-B2 Long chain N-alkyl compounds and oxa-derivatives thereof THOMAS JEFFERSON UNIVERSITY (US) 2015-07-28 US disclosed
US-20110184019-A1 Long chain N-Alkyl compounds and oxa-derivatives thereof THOMAS JEFFERSON UNIVERSITY 2011-07-28 US disclosed
US-7816560-B1 Long chain n-alkyl compounds and oxa-derivatives thereof THOMAS JEFFERSON UNIVERSITY (US) 2010-10-19 US disclosed
US-20100137365-A1 Long chain N-alkyl compounds and oxa-derivatives thereof THOMAS JEFFERSON UNIVERSITY 2010-06-03 US disclosed
EP-1210082-A2 LONG CHAIN N-ALKYL COMPOUNDS AND OXA-DERIVATIVES THEREOF AND USE AS ANTIVIRAL COMPOSITIONS THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 2002-06-05 EP disclosed
WO-2001010429-A2 LONG CHAIN N-ALKYL COMPOUNDS AND OXA-DERIVATIVES THEREOF AND USE AS ANTIVIRAL COMPOSITIONS THE CHANCELLOR, MASTERS, AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 2001-02-15 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 (2 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-20100137365-A1 Long chain N-alkyl compounds and oxa-derivatives thereof OXA1L, OTC, PAICS ALDH1A1 1474/4885HSD17B10 1835/4885KDM4E 2658/4885
US-20110184019-A1 Long chain N-Alkyl compounds and oxa-derivatives thereof OXA1L, OTC, PAICS ALDH1A1 1474/4885HSD17B10 1835/4885KDM4E 2658/4885

“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.