SCHEMBL13619918

SCHEMBL13619918

O=C(O)c1ccc(N(c2ccc(C(=O)O)cc2)/[N+]([O-])=N/O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 3/20 0.46
TP53 P04637 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
SRD5A2 P31213 2/20 0.43
FBP1 P09467 1/20 0.41
CA12 O43570 2/20 0.40
CA3 P07451 2/20 0.40
CA6 P23280 2/20 0.40
CA5A P35218 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CA5B Q9Y2D0 2/20 0.40
TYR P14679 1/20 0.40

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
SCHEMBL13619925 0.87 CA1 (0.45) TDP1KMT2AMEN1NPC1POLB
SCHEMBL16727259 0.81 KMT2A (0.50) TDP1TSHRTP53KMT2AMEN1
SCHEMBL13619933 0.75 TDP1 (0.39) TDP1TSHRTP53KMT2AMEN1
SCHEMBL2029621 0.69 TSHR (0.67) TSHRTP53KMT2AMEN1NPC1
SCHEMBL22972761 0.69 TSHR (0.67) TSHRTP53KMT2AMEN1NPC1
SCHEMBL17040204 0.69 TSHR (0.67) TSHRTP53KMT2AMEN1NPC1
Terephthalic Acid SCHEMBL27595349 0.69 TSHR (0.75) TSHRTP53KMT2ACA1CA2
Terephthalic Acid SCHEMBL175823 0.68 TSHR (1.00) TSHRTP53CA1CA2SRD5A2
Terephthalic Acid SCHEMBL5053781 0.68 TSHR (1.00) TSHRTP53CA1CA2SRD5A2
Terephthalic Acid SCHEMBL2511919 0.68 TSHR (1.00) TSHRTP53CA1CA2SRD5A2

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-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 (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 897/4885TSHR 4834/4885TP53 571/4885

“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.