SCHEMBL3584166

SCHEMBL3584166

COC(=O)C(CO)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
MAPT P10636 10/20 0.50
MAPK1 P28482 8/20 0.50
TDP1 Q9NUW8 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.49
GAA P10253 3/20 0.49
L3MBTL1 Q9Y468 5/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 2/20 0.46
HCAR3 P49019 1/20 0.46

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
SCHEMBL9509221 0.85 CRHBP (0.54) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL7997158 0.85 CRHBP (0.54) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL8742125 0.83 CRHBP (0.58) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL1596478 0.83 CRHBP (0.58) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL5945876 0.83 CRHBP (0.58) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL9375780 0.83 ALDH1A1 (0.54) MAPTMAPK1SMN1; SMN2ALDH1A1LMNA
SCHEMBL9375784 0.83 ALDH1A1 (0.54) MAPTMAPK1SMN1; SMN2ALDH1A1LMNA
SCHEMBL6370508 0.79 MAPT (0.42) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL8742128 0.79 CRHBP (0.56) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL4301791 0.79 CRHBP (0.56) CRHBPCRHR2MAPTMAPK1TDP1

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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 CRHBP 3145/4885CRHR2 281/4885MAPT 4758/4885

“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.