SCHEMBL4558556

SCHEMBL4558556

C=CCN(CC=C)/[N+]([O-])=N\O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.40
CYP3A4 P08684 1/20 0.40
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 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
SCHEMBL4558558 1.00 ALOX15 (0.40) ALOX15CYP3A4KDM4EMEN1TSHR
SCHEMBL15370117 0.72 CYP3A4 (0.31) ALOX15CYP3A4
SCHEMBL11295202 0.72 CYP3A4 (0.31) ALOX15CYP3A4
SCHEMBL11295201 0.72 CYP3A4 (0.31) ALOX15CYP3A4
SCHEMBL6026437 0.70 ALDH1A1 (0.32) KDM4E
SCHEMBL11319387 0.70
SCHEMBL517340 0.65
SCHEMBL517338 0.65
SCHEMBL16920998 0.63 ALOX15 (0.43) ALOX15CYP3A4KDM4EMEN1TSHR
SCHEMBL1374556 0.63 ALOX15 (0.74) ALOX15CYP3A4KDM4EMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10273202-B2 Nitroxyl progenitor compounds and methods of use THE JOHNS HOPKINS UNIVERSITY (US) 2019-04-30 US disclosed
US-20090281067-A1 Nitroxyl progenitor compounds and methods of use THE JOHN HOPKINS UNIVERSITY (US) 2009-11-12 US disclosed
US-7122529-B2 Compounds that release nitric oxide at controlled rates upon photolysis THE JOHNS HOPKINS UNIVERSITY (US) 2006-10-17 US disclosed
US-20040158048-A1 Compounds that release nitric oxide at controlled rates upon photolysis THE JOHNS HOPKINS UNIVERSITY 2004-08-12 US disclosed
WO-2003006427-A1 COMPOUNDS THAT RELEASE NITRIC OXIDE AT CONTROLLED RATES UPON PHOTOLYSIS JOHNS HOPKINS UNIVERSITY (US) 2003-01-23 WO 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 (3 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-20040158048-A1 Compounds that release nitric oxide at controlled rates upon photolysis NOS2, NOS1, NOS3 ALOX15 474/4885CYP3A4 120/4885KDM4E 1792/4885
US-20090281067-A1 Nitroxyl progenitor compounds and methods of use HMOX2, NNMT, HMOX1 ALOX15 133/4885CYP3A4 1820/4885KDM4E 1501/4885
US-10273202-B2 Nitroxyl progenitor compounds and methods of use HMOX2, NNMT, HMOX1 ALOX15 133/4885CYP3A4 1820/4885KDM4E 1501/4885

“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.