SCHEMBL13619910

SCHEMBL13619910

CC(C)(C)N(c1ccc(C#N)cc1)/[N+]([O-])=N/O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.36
KIF11 P52732 1/20 0.36
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NR1H3 Q13133 1/20 0.35
CA2 P00918 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2A6 P11509 2/20 0.34
CA12 O43570 1/20 0.34
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
ABCC9 O60706 1/20 0.34
KCNJ11 Q14654 1/20 0.34
CA1 P00915 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 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
SCHEMBL13619927 0.85 NR1H3 (0.41) FBP1KIF11NOS3NOS1NR1H3
SCHEMBL13619917 0.84 FBP1 (0.38) FBP1NR1H3CA2CA1MAPT
SCHEMBL13619938 0.81 NR1H3 (0.39) FBP1KIF11NOS3NOS1NR1H3
SCHEMBL16727255 0.81 FBP1 (0.36) FBP1NR1H3CA2ALDH1A1CA1
SCHEMBL13619909 0.78 FBP1 (0.39) FBP1NOS3NOS1NR1H3CA2
SCHEMBL13619919 0.74 KMT2A (0.42) FBP1CA2ALDH1A1CA12CA3
SCHEMBL13619912 0.74 FBP1 (0.36) FBP1NOS3NOS1NR1H3CA2
SCHEMBL13821918 0.73 KIF11 (0.44) KIF11NOS3NOS1NR1H3CA2
SCHEMBL13619926 0.72 TSHR (0.42) FBP1CA2CA12CA3CA6
SCHEMBL16730128 0.71 SLC6A2 (0.36) FBP1NOS3NOS1CA2ALDH1A1

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-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

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-20090281067-A1 Nitroxyl progenitor compounds and methods of use HMOX2, NNMT, HMOX1 FBP1 1637/4885KIF11 3304/4885NOS3 13/4885
US-20150141378-A1 NITROXYL PROGENITOR COMPOUNDS AND METHODS OF USE HMOX2, NNMT, HMOX1 FBP1 1637/4885KIF11 3304/4885NOS3 13/4885

“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.