SCHEMBL17294152

SCHEMBL17294152

O=C1NC(=O)C(Cc2ccncc2)(NO)C(=O)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
KDM4E B2RXH2 2/20 0.44
MMP13 P45452 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
CYP3A4 P08684 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
KCNQ2 O43526 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CGAS Q8N884 1/20 0.33
DAO P14920 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL17294170 0.83 MMP9 (0.46) ALDH1A1KDM4EMMP13CYP3A4CYP1A2
SCHEMBL17294173 0.80 ADAM17 (0.47) ALDH1A1KDM4EMMP13SMN1; SMN2CYP2C9
SCHEMBL10095174 0.78 ALDH1A1 (0.62) ATMALDH1A1LMNAKDM4EMMP13
SCHEMBL17294160 0.76 MMP2 (0.53) LMNAMMP13SMN1; SMN2L3MBTL1HTT
SCHEMBL17294147 0.75 MMP2 (0.49) HDAC1DAO
SCHEMBL17294196 0.72 PKM (0.43) ALDH1A1LMNAKDM4ECYP3A4TSHR
SCHEMBL17549557 0.70 MAPT (0.36) ATMALDH1A1KDM4EMMP13SMN1; SMN2
SCHEMBL17294183 0.68 NPC1 (0.44) ALDH1A1SMN1; SMN2RAB9ADAO
SCHEMBL17549560 0.68 MEN1 (0.39) ALDH1A1LMNAKDM4ESMN1; SMN2CYP2C9
SCHEMBL17294138 0.66 LMNA (0.50) ALDH1A1LMNAKDM4ECYP3A4

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 ATM 4104/4885ALDH1A1 654/4885LMNA 1383/4885

“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.