SCHEMBL13714711

SCHEMBL13714711

O=[N+]([O-])COCC1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
HTR3A P46098 1/20 0.33
KCNH2 Q12809 1/20 0.33
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL8260874 0.76 TDP1 (0.36) TDP1SLC6A2SLC6A4HTR3AKCNH2
SCHEMBL16394631 0.74 TDP1 (0.42) TDP1SLC6A2SLC6A4HTR3AKCNH2
Hydrochloric Acid SCHEMBL27035712 0.74 TDP1 (0.47) TDP1SLC6A2SLC6A4HTR3AKCNH2
Hydrochloric Acid SCHEMBL796426 0.72 TDP1 (0.46) TDP1SLC6A2SLC6A4HTR3AKCNH2
Nitric Acid SCHEMBL9344153 0.72 TDP1 (0.33) TDP1SLC6A2SLC6A4HTR3AKCNH2
SCHEMBL17318288 0.69 NOS3 (0.39) TDP1SLC6A4
SCHEMBL20071877 0.69 TDP1 (0.39) TDP1SLC6A2SLC6A4HTR3AKCNH2
SCHEMBL27166390 0.69 TDP1 (0.39) TDP1SLC6A2SLC6A4HTR3AKCNH2
SCHEMBL91544 0.69 TDP1 (0.43) TDP1SLC6A2SLC6A4HTR3AKCNH2
SCHEMBL13743087 0.68 TDP1 (0.36) TDP1SLC6A2SLC6A4HTR3AKCNH2

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-20090215838-A1 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN II ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2009-08-27 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-20090215838-A1 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN II ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NOS2, NOS3, NOS1 TDP1 2230/4885SLC6A2 279/4885SLC6A4 993/4885

“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.