SCHEMBL16377398

SCHEMBL16377398

COc1cc(C(=O)NN)c([N+](=O)[O-])cc1OC

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.68
▸ HTT P42858 1/20 0.68
▸ NPC1 O15118 1/20 0.65
▸ CYP3A4 P08684 1/20 0.65
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ LMNA P02545 3/20 0.59
▸ MAPT P10636 1/20 0.59
▸ PKM P14618 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ CTSD P07339 1/20 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
SCHEMBL16368565 0.90 POLB (0.56) POLBHTTNPC1CYP3A4L3MBTL1
SCHEMBL348156 0.82 LMNA (0.57) POLBHTTNPC1CYP3A4L3MBTL1
SCHEMBL6592804 0.82 LMNA (0.61) POLBHTTNPC1CYP3A4L3MBTL1
SCHEMBL1953578 0.82 POLB (0.61) POLBHTTNPC1CYP3A4L3MBTL1
SCHEMBL2605630 0.82 LMNA (0.73) POLBHTTNPC1CYP3A4L3MBTL1
SCHEMBL14070021 0.80 POLB (0.79) POLBHTTNPC1CYP3A4L3MBTL1
SCHEMBL375897 0.80 PKM (0.59) POLBHTTNPC1CYP3A4L3MBTL1
SCHEMBL4108486 0.80 L3MBTL1 (0.59) POLBHTTNPC1CYP3A4L3MBTL1
SCHEMBL31549975 0.80 PKM (0.59) POLBHTTNPC1CYP3A4L3MBTL1
SCHEMBL28557642 0.80 LMNA (0.58) POLBHTTNPC1CYP3A4L3MBTL1

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-9085549-B2 Compounds for the treatment of neurodegenerative diseases PROTEOTECH INC (US) 2015-07-21 — — US disclosed
US-20150011604-A1 Compounds for the treatment of neurodegenerative diseases PROTEOTECH INC. (US) 2015-01-08 — — 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-20150011604-A1 Compounds for the treatment of neurodegenerative diseases SNCA, MAPT, PARK7 POLB 1166/4885HTT 4/4885NPC1 134/4885

“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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