SCHEMBL13396366

SCHEMBL13396366

NC(Cc1ccc(O)cc1)C(=O)Oc1ccc(CCO[N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 2/20 0.43
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MMP2 P08253 1/20 0.38
▸ LNPEP Q9UIQ6 2/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ ERAP2 Q6P179 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PCNA P12004 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL13396368 0.93 SLC7A5 (0.42) SLC7A5MMP2PTGS2
SCHEMBL13396387 0.85 PTGS2 (0.37) PTGS2
SCHEMBL13396493 0.83 KCNH2 (0.36) PTGS2
SCHEMBL8933432 0.83 MMP2 (0.54) SLC7A5MMP2ALDH1A1
SCHEMBL6559349 0.83 MMP2 (0.54) SLC7A5MMP2ALDH1A1
SCHEMBL9052704 0.83 MMP2 (0.54) SLC7A5MMP2ALDH1A1
SCHEMBL13396373 0.81 SLC7A5 (0.47) SLC7A5MMP2PTGS2ALDH1A1HDAC8
SCHEMBL13396468 0.81 FFAR1 (0.39) PTGS2
SCHEMBL13416250 0.81 SLC7A5 (0.46) SLC7A5NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL1832905 0.80 SLC7A5 (0.48) SLC7A5MMP2PTGS2ALDH1A1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266820-B2 Nitric oxide donor compounds NICOX SCIENCE IRELAND (IE) 2016-02-23 — — US disclosed
US-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX SA (FR) 2014-09-25 — — US disclosed
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-04-22 — — 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-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 SLC7A5 4040/4885NPC1 2194/4885MAPT 2611/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 SLC7A5 4181/4885NPC1 2153/4885MAPT 2869/4885

“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.

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