Sugi Predict

Sugi Predict / Compounds / SCHEMBL13619903

SCHEMBL13619903

SCHEMBL13619903

[O-]/[N+](=N\O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.43
▸ HPGD P15428 4/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MEN1 O00255 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ ATM Q13315 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ CRHBP P24387 2/20 0.38
▸ CRHR2 Q13324 2/20 0.38
▸ TLR9 Q9NR96 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ PSMD14 O00487 1/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ RAD52 P43351 1/20 0.33

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
SCHEMBL13619926 0.84 TSHR (0.42) MEN1KMT2AL3MBTL1CRHBPCRHR2
SCHEMBL16727258 0.77 MEN1 (0.41) ALDH1A1HPGDTDP1CYP3A4HSD17B10
SCHEMBL13619918 0.77 TDP1 (0.47) ALDH1A1TDP1MEN1KMT2AALOX15
SCHEMBL13619929 0.74 ALDH1A1 (0.38) ALDH1A1HPGDTDP1CYP3A4HSD17B10
SCHEMBL564828 0.70 ALDH1A1 (0.50) ALDH1A1HPGDTDP1HSD17B10MEN1
SCHEMBL10490987 0.70 ALDH1A1 (0.50) ALDH1A1HPGDTDP1HSD17B10MEN1
Fluoride SCHEMBL27617831 0.68 ALDH1A1 (0.48) ALDH1A1HPGDTDP1MEN1KMT2A
SCHEMBL28228778 0.68 ALDH1A1 (0.48) ALDH1A1HPGDTDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL28757835 0.68 ALDH1A1 (0.48) ALDH1A1HPGDTDP1MEN1KMT2A
Acetone SCHEMBL28244227 0.67 ATM (0.44) ALDH1A1HPGDCYP3A4MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10273202-B2 Nitroxyl progenitor compounds and methods of use THE JOHNS HOPKINS UNIVERSITY (US) 2019-04-30 — — US disclosed
US-20150141378-A1 NITROXYL PROGENITOR COMPOUNDS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-21 — — US disclosed
US-20090281067-A1 Nitroxyl progenitor compounds and methods of use THE JOHN HOPKINS UNIVERSITY (US) 2009-11-12 — — US disclosed
US-20090281067-A1 Nitroxyl progenitor compounds and methods of use THE JOHN HOPKINS UNIVERSITY (US) 2009-11-12 — — 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 (3 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-20090281067-A1 Nitroxyl progenitor compounds and methods of use HMOX2, NNMT, HMOX1 ALDH1A1 37/4885HPGD 25/4885TDP1 897/4885
US-20150141378-A1 NITROXYL PROGENITOR COMPOUNDS AND METHODS OF USE HMOX2, NNMT, HMOX1 ALDH1A1 37/4885HPGD 25/4885TDP1 897/4885
US-10273202-B2 Nitroxyl progenitor compounds and methods of use HMOX2, NNMT, HMOX1 ALDH1A1 37/4885HPGD 25/4885TDP1 897/4885

“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.