SCHEMBL10090684

SCHEMBL10090684

NC(=O)c1ccccc1/N=C/c1ccccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.62
▸ HPGD P15428 9/20 0.62
▸ LMNA P02545 4/20 0.62
▸ L3MBTL1 Q9Y468 2/20 0.62
▸ HTT P42858 1/20 0.62
▸ KDM4E B2RXH2 9/20 0.60
▸ MAPT P10636 3/20 0.60
▸ AKR1C3 P42330 2/20 0.59
▸ AKR1C2 P52895 1/20 0.59
▸ AKR1C1 Q04828 1/20 0.59
▸ GAA P10253 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ RAB9A P51151 4/20 0.51
▸ USP2 O75604 1/20 0.51
▸ SAE1 Q9UBE0 2/20 0.51
▸ UBA2 Q9UBT2 2/20 0.51
▸ APAF1 O14727 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ HSD17B10 Q99714 2/20 0.50

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
SCHEMBL3166963 0.80 APAF1 (0.59) ALDH1A1LMNAL3MBTL1HTTKDM4E
SCHEMBL12416827 0.80 APAF1 (0.52) ALDH1A1LMNAL3MBTL1KDM4EMAPT
SCHEMBL10090711 0.80 ALDH1A1 (0.68) ALDH1A1HPGDLMNAL3MBTL1HTT
SCHEMBL4090135 0.78 AKR1C3 (0.81) ALDH1A1HPGDLMNAL3MBTL1HTT
SCHEMBL30307314 0.77 ALDH1A1 (0.64) ALDH1A1HPGDLMNAL3MBTL1HTT
SCHEMBL10090704 0.77 ALDH1A1 (1.00) ALDH1A1HPGDLMNAL3MBTL1HTT
SCHEMBL27930462 0.77 ALDH1A1 (0.66) ALDH1A1HPGDLMNAL3MBTL1HTT
SCHEMBL2530480 0.76 ALDH1A1 (0.64) ALDH1A1HPGDLMNAL3MBTL1HTT
SCHEMBL30824636 0.76 ALDH1A1 (0.64) ALDH1A1HPGDLMNAL3MBTL1HTT
SCHEMBL2530478 0.76 ALDH1A1 (0.64) ALDH1A1HPGDLMNAL3MBTL1HTT

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 5 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-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
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 ALDH1A1 855/4885HPGD 2221/4885LMNA 3658/4885
US-20160166553-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF ALDH1A1 855/4885HPGD 2221/4885LMNA 3658/4885

“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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