SCHEMBL18719476

SCHEMBL18719476

COc1cc(C(N)=O)c(O)c(OC)c1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.55
TDP1 Q9NUW8 3/20 0.51
POLB P06746 3/20 0.51
KDM4E B2RXH2 3/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 1/20 0.43
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ERN1 O75460 1/20 0.38
TPMT P51580 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
APOBEC3A P31941 1/20 0.38
HTT P42858 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
DBH P09172 1/20 0.38
CDK2 P24941 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
SCHEMBL29033636 0.82 PKM (0.75) PKMTDP1POLBKDM4ECTDSP1
SCHEMBL30498916 0.82 PKM (0.75) PKMTDP1POLBKDM4ECTDSP1
SCHEMBL10741391 0.80 TDP1 (0.64) PKMTDP1POLBKDM4ECTDSP1
SCHEMBL9573894 0.79 KDM4E (0.53) PKMTDP1POLBKDM4EMAPT
SCHEMBL16689315 0.78 PKM (0.57) PKMTDP1POLBKDM4ECTDSP1
SCHEMBL16689297 0.78 PKM (0.57) PKMTDP1POLBKDM4ECTDSP1
SCHEMBL23549385 0.78 PKM (0.60) PKMTDP1POLBKDM4ECTDSP1
SCHEMBL30662204 0.78 PKM (0.60) PKMTDP1POLBKDM4ECTDSP1
SCHEMBL5962841 0.77 PKM (0.58) PKMTDP1POLBKDM4ECTDSP1
SCHEMBL27748861 0.76 TDP1 (0.62) PKMTDP1POLBKDM4ECTDSP1

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-20170099837-A1 EXTRACTS OF AGRICULTURAL HUSKS USED TO MODIFY THE METABOLISM OF PLANTS MEDINA ESQUER LUIS ROMAN (MX) 2017-04-13 US disclosed
US-20170099837-A1 EXTRACTS OF AGRICULTURAL HUSKS USED TO MODIFY THE METABOLISM OF PLANTS MEDINA ESQUER LUIS ROMAN (MX) 2017-04-13 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-20170099837-A1 EXTRACTS OF AGRICULTURAL HUSKS USED TO MODIFY THE METABOLISM OF PLANTS PCK1, SNRK, HPD PKM 132/4885TDP1 2424/4885POLB 2145/4885

“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.