SCHEMBL505530

SCHEMBL505530

Cc1ccc(NC(=O)C=NO)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
CYP1A2 P05177 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
TGM2 P21980 1/20 0.61
NMT1 P30419 1/20 0.58
DDAH1 O94760 1/20 0.56
TDP1 Q9NUW8 1/20 0.53
TP53 P04637 1/20 0.53
POLB P06746 1/20 0.52
MMP1 P03956 2/20 0.51
MMP2 P08253 2/20 0.51
MMP9 P14780 2/20 0.51
EGFR P00533 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
LMNA P02545 1/20 0.47

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
SCHEMBL10212256 1.00 MEN1 (0.68) MEN1KMT2ACYP1A2NPSR1TGM2
SCHEMBL505529 1.00 MEN1 (0.68) MEN1KMT2ACYP1A2NPSR1TGM2
SCHEMBL378356 0.81 NPSR1 (0.56) MEN1KMT2ACYP1A2NPSR1TP53
SCHEMBL378355 0.81 NPSR1 (0.56) MEN1KMT2ACYP1A2NPSR1TP53
SCHEMBL17827757 0.81 NPSR1 (0.56) MEN1KMT2ACYP1A2NPSR1TP53
SCHEMBL183746 0.81 MEN1 (1.00) MEN1KMT2ACYP1A2NPSR1TGM2
SCHEMBL505069 0.81 MEN1 (0.68) MEN1KMT2ACYP1A2NPSR1TP53
SCHEMBL183793 0.81 MEN1 (1.00) MEN1KMT2ACYP1A2NPSR1TGM2
SCHEMBL505845 0.81 MEN1 (0.68) MEN1KMT2ACYP1A2NPSR1TGM2
SCHEMBL505846 0.81 MEN1 (0.68) MEN1KMT2ACYP1A2NPSR1TGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414328-B1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO SA (CH) 2021-05-26 EP disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
CN-104030987-A DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO SA 2014-09-10 CN disclosed
CN-102898402-A Benzisoselenazolone-modified pyrrolyl formate-substituted indolone compound and use thereof UNIV BEIJING 2013-01-30 CN disclosed
EP-2414328-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Merck Serono S.A. (CH) 2012-02-08 EP disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 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-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, FH, DPYD MEN1 1133/4885KMT2A 836/4885CYP1A2 636/4885

“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.