SCHEMBL15043007

SCHEMBL15043007

COc1ccc(C(=O)Nc2cccc(C)n2)cc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.66
▸ LMNA P02545 2/20 0.66
▸ KMT2A Q03164 4/20 0.65
▸ POLB P06746 3/20 0.65
▸ MEN1 O00255 3/20 0.65
▸ CTDSP1 Q9GZU7 1/20 0.65
▸ RAB9A P51151 3/20 0.64
▸ ALDH1A1 P00352 3/20 0.64
▸ TDP1 Q9NUW8 2/20 0.64
▸ CYP3A4 P08684 1/20 0.64
▸ TSHR P16473 1/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.63
▸ NPC1 O15118 2/20 0.63
▸ HPGD P15428 1/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ MAPK1 P28482 2/20 0.61
▸ GRM5 P41594 1/20 0.60

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
SCHEMBL10090722 0.88 MAPT (0.68) MAPTLMNAKMT2APOLBMEN1
SCHEMBL15045374 0.83 MEN1 (0.69) MAPTKMT2APOLBMEN1RAB9A
SCHEMBL2749120 0.83 ALDH1A1 (0.69) MAPTLMNAKMT2APOLBMEN1
SCHEMBL5784706 0.78 ALDH1A1 (0.62) MAPTLMNAKMT2APOLBMEN1
SCHEMBL19034437 0.78 ALDH1A1 (1.00) MAPTLMNAKMT2APOLBMEN1
SCHEMBL11036192 0.78 KMT2A (0.82) MAPTLMNAKMT2APOLBMEN1
SCHEMBL12136758 0.77 ALDH1A1 (0.74) MAPTLMNAKMT2APOLBMEN1
SCHEMBL4099919 0.76 ALDH1A1 (0.69) MAPTLMNAKMT2APOLBMEN1
SCHEMBL23412417 0.76 ALDH1A1 (0.76) MAPTLMNAKMT2APOLBMEN1
SCHEMBL7150270 0.76 ALDH1A1 (0.76) MAPTLMNAKMT2APOLBMEN1

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 MAPT 4206/4885LMNA 3658/4885KMT2A 3928/4885
US-20160166553-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF MAPT 4206/4885LMNA 3658/4885KMT2A 3928/4885

“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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