SCHEMBL1847823

SCHEMBL1847823

O=C(O)c1cc([N+](=O)[O-])cn1C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
HTT P42858 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HCAR3 P49019 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6819794 0.87 AR (0.45) ALDH1A1KMT2AMEN1
SCHEMBL20514935 0.80 ALDH1A1 (0.39) ALDH1A1HTTKDM4ETDP1
SCHEMBL1844382 0.80 NPC1 (0.46) ALDH1A1KMT2A
SCHEMBL31493403 0.79 AR (0.47) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL32680245 0.74 HSD17B10 (0.39) ALDH1A1HSD17B10HCAR3GAAKMT2A
SCHEMBL1841466 0.72 SIGMAR1 (0.37) SMN1; SMN2HTTTDP1TP53
SCHEMBL1662655 0.70 AR (0.51) ALDH1A1KMT2AMEN1TDP1TP53
Hydrochloric Acid SCHEMBL6151019 0.69 AR (0.50) ALDH1A1KMT2AMEN1TDP1TP53
SCHEMBL1844197 0.67 TDP1 (0.38) ALDH1A1HTTHCAR3GAAKMT2A
SCHEMBL4703944 0.67 HTT (0.40) ALDH1A1SMN1; SMN2HTTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467969-B1 DNA MINOR GROOVE BINDING COMPOUNDS UNIV STRATHCLYDE (GB) 2011-05-18 EP disclosed
US-7700765-B2 DNA minor groove binding compounds UNIVERSITY OF STRATHCLYDE (GB) 2010-04-20 US disclosed
US-20070117760-A1 Dna minor groove binding compounds UNIVERSITY OF STRATHCLYDE (GB) 2007-05-24 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-20070117760-A1 Dna minor groove binding compounds PCNA, POLL, POLM ALDH1A1 4824/4885SMN1; SMN2 4093/4885SIRT2 4526/4885

“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.