SCHEMBL14224679

SCHEMBL14224679

CC(C)(C)OC(=O)Nc1ccc(OCCN2CCOCC2)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
ALDH1A1 P00352 3/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
PPARG P37231 3/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
EPHX2 P34913 3/20 0.46
BRD4 O60885 1/20 0.46
GAA P10253 1/20 0.45
CD274 Q9NZQ7 1/20 0.44

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
SCHEMBL28773196 0.91 KDM4E (0.58) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL25308843 0.87 KDM4E (0.65) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL28548612 0.82 ALDH1A1 (0.48) KDM4ESMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL1801810 0.80 CD274 (0.62) KDM4ESMN1; SMN2ALDH1A1EPHX2GAA
SCHEMBL28885280 0.79 MAPT (0.61) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL1600161 0.79 BRD4 (0.49) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL21588984 0.79 MAPT (0.55) KDM4ESMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL1663955 0.78 KDM4E (0.71) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL28538284 0.77 GAA (0.60) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL1605174 0.77 KDM4E (0.74) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090816-A1 ANTI-INFECTIVE BIARYL COMPOUNDS GENESOFT PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-7265129-B2 Anti-infective biaryl compounds GENESOFT PHARMACEUTICALS, INC. (US) 2007-09-04 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-20080090816-A1 ANTI-INFECTIVE BIARYL COMPOUNDS QTRT1, Q6ZSR9, QTRT2 KDM4E 3096/4885SMN1; SMN2 4635/4885ALDH1A1 2229/4885

“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.