SCHEMBL13619933

SCHEMBL13619933

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
SRD5A2 P31213 5/20 0.37
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
FBP1 P09467 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CASP6 P55212 1/20 0.33
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
HPGD P15428 1/20 0.33
CA12 O43570 1/20 0.32

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
SCHEMBL13619919 0.81 KMT2A (0.42) TDP1KMT2AMEN1NPC1POLB
SCHEMBL13619918 0.75 TDP1 (0.47) TDP1KMT2AMEN1NPC1POLB
SCHEMBL16727259 0.72 KMT2A (0.50) TDP1KMT2AMEN1NPC1POLB
SCHEMBL16730055 0.70 NPC1 (0.47) KMT2AMEN1NPC1POLBSRD5A2
Perflubutane SCHEMBL28930534 0.64 TSHR (0.63) SRD5A2TP53TSHRCA1CA2
SCHEMBL16730050 0.63 NPC1 (0.50) KMT2AMEN1NPC1POLBSRD5A2
SCHEMBL2865783 0.62 TSHR (0.60) KMT2AMEN1NPC1POLBSRD5A2
SCHEMBL2029621 0.61 TSHR (0.67) KMT2AMEN1NPC1POLBSRD5A2
SCHEMBL22972761 0.61 TSHR (0.67) KMT2AMEN1NPC1POLBSRD5A2
SCHEMBL17040204 0.61 TSHR (0.67) KMT2AMEN1NPC1POLBSRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 TDP1 897/4885KMT2A 1272/4885MEN1 3282/4885

“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.