SCHEMBL505279

SCHEMBL505279

COc1cc(C(=O)O)c(N)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
KDM4E B2RXH2 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
PKM P14618 2/20 0.59
MAPK1 P28482 2/20 0.59
G6PD P11413 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
APOBEC3G Q9HC16 1/20 0.59
AKR1C3 P42330 6/20 0.50
AKR1C2 P52895 6/20 0.50
AKR1B10 O60218 2/20 0.47
AKR1B1 P15121 2/20 0.47
AKR1C4 P17516 2/20 0.47
AKR1C1 Q04828 2/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL505294 0.86 KDM4E (0.57) MAPTKDM4EMEN1KMT2APKM
SCHEMBL6639064 0.83 MAPT (0.74) MAPTKDM4EMEN1KMT2APKM
SCHEMBL10753545 0.83 TPMT (0.55) MAPTKDM4EMEN1KMT2APKM
SCHEMBL664622 0.81 SMN1; SMN2 (0.50) MAPTKDM4EMEN1KMT2AAKR1C3
SCHEMBL505297 0.79 KDM4E (0.58) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL416580 0.78 MAPT (0.68) MAPTKDM4EMEN1KMT2APKM
SCHEMBL17873469 0.78 LCK (0.50) KDM4EAKR1C3AKR1C2ALDH1A1HPGD
SCHEMBL11377025 0.78 MAPT (0.68) MAPTKDM4EMEN1KMT2APKM
SCHEMBL1116033 0.78 PKM (0.54) MAPTKDM4EMEN1KMT2APKM
SCHEMBL147187 0.78 AKR1C3 (0.63) MAPTKDM4EMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020188405-A1 BENZIMIDAZOLES DERIVATIVES AS ANTI-TUBERCULOSIS AGENTS FOUNDATION FOR NEGLECTED DISEASE RESEARCH (IN) 2020-09-24 WO disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
WO-2014092104-A1 OXADIAZOLE DERIVATIVE AND PHARMACEUTICAL USE OF SAME 大日本住友製薬株式会社 (JP) 2014-06-19 WO 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
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US 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
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 MAPT 3410/4885KDM4E 806/4885MEN1 1133/4885

“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.