SCHEMBL15043006

SCHEMBL15043006

CCOc1ccc(C(=O)Nc2ccc(I)cn2)cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.65
▸ SMN1; SMN2 Q16637 4/20 0.62
▸ ALDH1A1 P00352 6/20 0.60
▸ POLB P06746 4/20 0.59
▸ LMNA P02545 3/20 0.58
▸ MAPT P10636 9/20 0.58
▸ MEN1 O00255 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ HTT P42858 3/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ CTDSP1 Q9GZU7 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ CYP1A2 P05177 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54

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
SCHEMBL10090677 0.83 NPC1 (0.60) SMN1; SMN2ALDH1A1LMNAMAPTHTT
SCHEMBL10090722 0.79 MAPT (0.68) GAASMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL6817979 0.78 POLB (0.79) GAASMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL752452 0.75 MEN1 (0.60) GAASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL17512389 0.74 GAA (0.64) GAASMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL17512404 0.74 POLB (0.70) GAASMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL11068320 0.74 GAA (0.71) GAASMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL1402203 0.74 MAPT (0.65) GAASMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL2339687 0.74 POLB (0.73) GAASMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL11691516 0.72 GAA (0.62) GAASMN1; SMN2ALDH1A1POLBLMNA

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-20160166553-A1 ANTIMETASTATIC COMPOUNDS UNIV BRIGHAM YOUNG (US) 2016-06-16 — — US disclosed
US-20130158035-A1 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2013-06-20 — — 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 (2 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-20130158035-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF GAA 4158/4885SMN1; SMN2 4322/4885ALDH1A1 855/4885
US-20160166553-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF GAA 4158/4885SMN1; SMN2 4322/4885ALDH1A1 855/4885

“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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