SCHEMBL505846

SCHEMBL505846

O=C(C=NO)Nc1ccc(Br)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
CYP1A2 P05177 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
F13A1 P00488 1/20 0.61
LMNA P02545 1/20 0.61
TGM2 P21980 1/20 0.61
TGM1 P22735 1/20 0.61
TGM3 Q08188 1/20 0.61
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TP53 P04637 2/20 0.53
ACHE P22303 3/20 0.50
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49

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
SCHEMBL7612445 1.00 MEN1 (0.68) MEN1KMT2ACYP1A2NPSR1F13A1
SCHEMBL505845 1.00 MEN1 (0.68) MEN1KMT2ACYP1A2NPSR1F13A1
SCHEMBL183746 0.81 MEN1 (1.00) MEN1KMT2ACYP1A2NPSR1TGM2
SCHEMBL183793 0.81 MEN1 (1.00) MEN1KMT2ACYP1A2NPSR1TGM2
SCHEMBL10212303 0.81 MEN1 (0.68) MEN1KMT2ACYP1A2NPSR1NPC1
SCHEMBL505069 0.81 MEN1 (0.68) MEN1KMT2ACYP1A2NPSR1NPC1
SCHEMBL183747 0.81 MEN1 (1.00) MEN1KMT2ACYP1A2NPSR1TGM2
SCHEMBL505530 0.81 MEN1 (0.68) MEN1KMT2ACYP1A2NPSR1LMNA
SCHEMBL10212256 0.81 MEN1 (0.68) MEN1KMT2ACYP1A2NPSR1LMNA
SCHEMBL505529 0.81 MEN1 (0.68) MEN1KMT2ACYP1A2NPSR1LMNA

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-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
CN-102574786-A Dihydroorotate dehydrogenase inhibitors MERCK SERONO SA 2012-07-11 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.