SCHEMBL5146747

SCHEMBL5146747

COc1ccc(-c2oc(=O)oc2Cc2[c]ccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.43
MAPT P10636 6/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
PKM P14618 1/20 0.39
APP P05067 1/20 0.38
CYP19A1 P11511 1/20 0.38
HTT P42858 3/20 0.37
LMNA P02545 3/20 0.37
GAA P10253 2/20 0.37
MAPK1 P28482 2/20 0.37
NFKB1 P19838 1/20 0.37
STAT1 P42224 1/20 0.37
NPBWR1 P48145 1/20 0.37
NFKB2 Q00653 1/20 0.37

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
SCHEMBL3625581 0.81 TSHR (0.34) SMN1; SMN2ALDH1A1HTTLMNANFE2L2
SCHEMBL2154099 0.79 KMT2A (0.48) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL9476182 0.72 APP (0.50) XDHMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL390309 0.71 HTR2A (0.48) XDHMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL11286333 0.71 TSHR (0.45) SMN1; SMN2ALDH1A1CYP19A1LMNAMAPK1
SCHEMBL8742095 0.69 PTGS2 (0.50) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL11742163 0.67 HTT (0.40) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL458041 0.65 POLB (0.43) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL5742336 0.65 HTT (0.38) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8531848 0.64 APP (0.50) XDHMAPTNPC1RAB9ASMN1; SMN2

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-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 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-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines Q6ZSR9, GMPS, RPS10 XDH 1930/4885MAPT 4452/4885NPC1 3841/4885

“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.