Sugi Predict

Sugi Predict / Compounds / SCHEMBL13619908

SCHEMBL13619908

SCHEMBL13619908

CN(c1ccc(Cl)cc1)/[N+]([O-])=N/O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA3 P07451 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ CA6 P23280 1/20 0.37
▸ CA5A P35218 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA13 Q8N1Q1 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ CA5B Q9Y2D0 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ FLT1 P17948 1/20 0.34

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
SCHEMBL13619939 0.82 ALDH1A1 (0.44) ALDH1A1HSD17B10CA12CA9TDP1
SCHEMBL16727258 0.79 MEN1 (0.41) ALDH1A1HSD17B10HPGDCA12CA1
SCHEMBL13619907 0.77 MAPT (0.50) ALDH1A1HSD17B10CA12CA1CA2
SCHEMBL13619909 0.76 FBP1 (0.39) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL16727259 0.76 KMT2A (0.50) ALDH1A1HPGDCA12CA1CA2
SCHEMBL13619905 0.76 KIF11 (0.39) ALDH1A1HSD17B10ALOX15TSHRFBP1
SCHEMBL16730126 0.76 ALDH1A1 (0.32) ALDH1A1TDP1TSHR
SCHEMBL24462295 0.66 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10HPGDALOX15
SCHEMBL10797569 0.66 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10HPGDALOX15
SCHEMBL59751 0.65 ALDH1A1 (0.69) ALDH1A1KDM4EHSD17B10HPGDALOX15

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 37/4885KDM4E 1501/4885HSD17B10 452/4885
US-20150141378-A1 NITROXYL PROGENITOR COMPOUNDS AND METHODS OF USE HMOX2, NNMT, HMOX1 ALDH1A1 37/4885KDM4E 1501/4885HSD17B10 452/4885
US-10273202-B2 Nitroxyl progenitor compounds and methods of use HMOX2, NNMT, HMOX1 ALDH1A1 37/4885KDM4E 1501/4885HSD17B10 452/4885

“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.