SCHEMBL7063585

SCHEMBL7063585

CCOC(=O)c1cc2cc(CCC[N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ HPGD P15428 3/20 0.58
▸ RAB9A P51151 3/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ NPC1 O15118 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ HTT P42858 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ HRH3 Q9Y5N1 1/20 0.55
▸ MMP13 P45452 8/20 0.54
▸ MMP2 P08253 6/20 0.54
▸ MEN1 O00255 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ MMP14 P50281 4/20 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
SCHEMBL27802281 0.84 KDM4E (0.65) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL27780771 0.83 KDM4E (0.64) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3560424 0.82 KDM4E (0.68) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL829242 0.81 KDM4E (0.76) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL7447241 0.81 KDM4E (0.67) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL10395119 0.81 KDM4E (0.67) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL5843089 0.81 KDM4E (0.60) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL28004667 0.81 KDM4E (0.60) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL5842347 0.80 KDM4E (0.65) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL13174359 0.79 KDM4E (0.72) KDM4EALDH1A1HPGDRAB9ASMN1; 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-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity GLAXOSMITHKLINE LLC 2003-11-13 — — 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-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity TYR, CYP51A1, ODC1 KDM4E 1515/4885ALDH1A1 597/4885HPGD 3099/4885

“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.

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