SCHEMBL15929115

SCHEMBL15929115

CCC(Cc1ccc(C(=O)Oc2ccc(/C=C/C(=O)Oc3ccc(C(N)=S)cc3)cc2)cc1)O[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
KDM4E B2RXH2 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
CTSK P43235 1/20 0.37
KMT2A Q03164 4/20 0.36
MAOB P27338 3/20 0.36
MMP1 P03956 1/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.35
PKM P14618 1/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL15929233 0.87 MAPT (0.38) MAPTKDM4ECA12CA1CA2
SCHEMBL15929154 0.84 HDAC3 (0.42) MAPTKDM4ECA12CA1CA2
SCHEMBL15929027 0.82 MAOB (0.52) MAPTKDM4ELMNACTSKKMT2A
SCHEMBL15929140 0.81 PTGS2 (0.38) MAPTLMNAKMT2A
SCHEMBL15928841 0.73 PTGS2 (0.47) MAPTLMNAALDH1A1HTTKMT2A
SCHEMBL19341482 0.73 PTGS2 (0.38) MAPTLMNA
SCHEMBL19341481 0.70 PTGS2 (0.39) MAPTLMNAKMT2AMEN1MAPK1
SCHEMBL19341453 0.70 HGFAC (0.35) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL20199860 0.70 MAOB (0.55) MAPTKDM4ECA12CA1CA2
SCHEMBL26333359 0.70 MAOB (0.55) MAPTKDM4ECA12CA1CA2

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-20170260124-A1 NO- AND H2S- RELEASING COMPOUNDS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK 2017-09-14 US disclosed
US-9688607-B2 No- and H2S-releasing compounds RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2017-06-27 US disclosed
US-20140221316-A1 NO- AND H2S- RELEASING COMPOUNDS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2014-08-07 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-20140221316-A1 NO- AND H2S- RELEASING COMPOUNDS PTGS1, NOS2, NOS1 MAPT 4769/4885KDM4E 3062/4885CA12 3042/4885
US-20170260124-A1 NO- AND H2S- RELEASING COMPOUNDS NOS2, NOS3, NOS1 MAPT 4419/4885KDM4E 2251/4885CA12 2261/4885

“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.