SCHEMBL17294170

SCHEMBL17294170

O=C1NC(=O)C(Cc2ccccc2)(NO)C(=O)N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 9/20 0.46
MMP2 P08253 8/20 0.46
MMP8 P22894 7/20 0.46
MMP13 P45452 6/20 0.46
CYP3A4 P08684 2/20 0.39
ADAM17 P78536 2/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
THRB P10828 1/20 0.36
IDO1 P14902 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL17549557 0.86 MAPT (0.36) MMP9MMP2MMP8MMP13CYP3A4
SCHEMBL17294164 0.84 MMP2 (0.43) MMP9MMP2MMP8MMP13KDM4E
SCHEMBL17294173 0.83 ADAM17 (0.47) MMP9MMP2MMP8MMP13ADAM17
SCHEMBL17294152 0.83 ATM (0.47) MMP13CYP3A4KDM4EALDH1A1CYP1A2
SCHEMBL16865428 0.79 MMP9 (0.56) MMP9MMP2MMP8MMP13CYP3A4
SCHEMBL17294160 0.79 MMP2 (0.53) MMP9MMP2MMP8MMP13
SCHEMBL17294147 0.78 MMP2 (0.49) MMP9MMP2MMP8
SCHEMBL17294183 0.77 NPC1 (0.44) MMP9MMP8ALDH1A1MAPTIDO1
SCHEMBL5448618 0.77 MMP9 (0.64) MMP9MMP2MMP8MMP13CYP3A4
SCHEMBL7337196 0.76 MMP9 (0.42) MMP9MMP2MMP8MMP13CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3148983-A1 N-HYDROXYLAMINO-BARBITURIC ACID DERIVATIVES AS NITROXYL DONORS The Johns Hopkins University (US) 2017-04-05 EP claimed
US-9464061-B2 N-hydroxylamino-barbituric acid derivatives THE JOHNS HOPKINS UNIVERSITY (US) 2016-10-11 US claimed
US-20160060229-A1 N-HYDROXYLAMINO-BARBITURIC ACID DERIVATIVES NATIONAL SCIENCE FOUNDATION 2016-03-03 US claimed
WO-2015183838-A1 N-HYDROXYLAMINO-BARBITURIC ACID DERIVATIVES AS NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY (US) 2015-12-03 WO claimed
EP-3148983-A1 N-HYDROXYLAMINO-BARBITURIC ACID DERIVATIVES AS NITROXYL DONORS The Johns Hopkins University (US) 2017-04-05 EP disclosed
US-9464061-B2 N-hydroxylamino-barbituric acid derivatives THE JOHNS HOPKINS UNIVERSITY (US) 2016-10-11 US disclosed
US-9464061-B2 N-hydroxylamino-barbituric acid derivatives THE JOHNS HOPKINS UNIVERSITY (US) 2016-10-11 US disclosed
US-9464061-B2 N-hydroxylamino-barbituric acid derivatives THE JOHNS HOPKINS UNIVERSITY (US) 2016-10-11 US disclosed
US-20160060229-A1 N-HYDROXYLAMINO-BARBITURIC ACID DERIVATIVES NATIONAL SCIENCE FOUNDATION 2016-03-03 US disclosed
US-20160060229-A1 N-HYDROXYLAMINO-BARBITURIC ACID DERIVATIVES NATIONAL SCIENCE FOUNDATION 2016-03-03 US disclosed
US-20160060229-A1 N-HYDROXYLAMINO-BARBITURIC ACID DERIVATIVES NATIONAL SCIENCE FOUNDATION 2016-03-03 US disclosed
WO-2015183838-A1 N-HYDROXYLAMINO-BARBITURIC ACID DERIVATIVES AS NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY (US) 2015-12-03 WO disclosed
WO-2015183838-A1 N-HYDROXYLAMINO-BARBITURIC ACID DERIVATIVES AS NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY (US) 2015-12-03 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 (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-20160060229-A1 N-HYDROXYLAMINO-BARBITURIC ACID DERIVATIVES TNNT2, TNNI3, TNNC1 MMP9 3542/4885MMP2 3465/4885MMP8 2925/4885

“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.