SCHEMBL10090722

SCHEMBL10090722

CCOc1ccc(C(=O)Nc2cccc(C)n2)cc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.68
▸ LMNA P02545 5/20 0.68
▸ GAA P10253 1/20 0.65
▸ SMN1; SMN2 Q16637 6/20 0.64
▸ NPC1 O15118 3/20 0.64
▸ POLB P06746 4/20 0.64
▸ RAB9A P51151 5/20 0.64
▸ ALDH1A1 P00352 6/20 0.63
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ CTDSP1 Q9GZU7 2/20 0.61
▸ TP53 P04637 1/20 0.61
▸ PKM P14618 1/20 0.61
▸ HTT P42858 2/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ HPGD P15428 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ MAPK1 P28482 2/20 0.58

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
SCHEMBL15043007 0.88 MAPT (0.66) MAPTLMNASMN1; SMN2NPC1POLB
SCHEMBL15045370 0.84 NPC1 (0.70) MAPTLMNASMN1; SMN2NPC1POLB
SCHEMBL6817979 0.80 POLB (0.79) MAPTLMNAGAASMN1; SMN2NPC1
SCHEMBL15043006 0.79 GAA (0.65) MAPTLMNAGAASMN1; SMN2NPC1
SCHEMBL11068320 0.76 GAA (0.71) MAPTLMNAGAASMN1; SMN2POLB
SCHEMBL11036192 0.76 KMT2A (0.82) MAPTLMNASMN1; SMN2NPC1POLB
SCHEMBL8533517 0.74 POLB (0.70) MAPTLMNAGAASMN1; SMN2NPC1
SCHEMBL17512389 0.74 GAA (0.64) MAPTLMNAGAASMN1; SMN2POLB
SCHEMBL5913195 0.74 KMT2A (0.62) MAPTLMNAGAASMN1; SMN2NPC1
SCHEMBL17512404 0.74 POLB (0.70) MAPTLMNAGAASMN1; SMN2POLB

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 3 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
WO-2012027392-A2 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2012-03-01 — — WO 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 MAPT 4206/4885LMNA 3658/4885GAA 4158/4885
US-20160166553-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF MAPT 4206/4885LMNA 3658/4885GAA 4158/4885

“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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