SCHEMBL505069

SCHEMBL505069

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
CYP1A2 P05177 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
HTT P42858 2/20 0.58
NPC1 O15118 2/20 0.58
GAA P10253 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MAPK1 P28482 1/20 0.57
MAPT P10636 2/20 0.56
ALDH1A1 P00352 2/20 0.56
TP53 P04637 1/20 0.53
MMP1 P03956 4/20 0.51
MMP2 P08253 4/20 0.51
MMP9 P14780 4/20 0.51
EGFR P00533 1/20 0.51
TSHR P16473 1/20 0.47
ACHE P22303 1/20 0.46
TRPV1 Q8NER1 1/20 0.46

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
SCHEMBL505068 1.00 MEN1 (0.68) MEN1KMT2ACYP1A2NPSR1HTT
SCHEMBL10212303 1.00 MEN1 (0.68) MEN1KMT2ACYP1A2NPSR1HTT
SCHEMBL27296620 0.83 HTT (0.59) MEN1KMT2ACYP1A2NPSR1HTT
SCHEMBL183793 0.81 MEN1 (1.00) MEN1KMT2ACYP1A2NPSR1NPC1
SCHEMBL183747 0.81 MEN1 (1.00) MEN1KMT2ACYP1A2NPSR1NPC1
SCHEMBL505845 0.81 MEN1 (0.68) MEN1KMT2ACYP1A2NPSR1NPC1
SCHEMBL505846 0.81 MEN1 (0.68) MEN1KMT2ACYP1A2NPSR1NPC1
SCHEMBL505530 0.81 MEN1 (0.68) MEN1KMT2ACYP1A2NPSR1NPC1
SCHEMBL183746 0.81 MEN1 (1.00) MEN1KMT2ACYP1A2NPSR1NPC1
SCHEMBL733110 0.81 NPSR1 (0.56) MEN1KMT2ACYP1A2NPSR1RAB9A

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 25 patents — showing the first 20. 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-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
EP-0030424-B1 DERIVATIVES OF 4-(METHYLPHOSPHINYL)-2-OXOBUTANOIC ACID, HERBICIDAL COMPOSITIONS CONTAINING THEM, AND INTERMEDIATES AND METHODS FOR THEIR PRODUCTION HOECHST AKTIENGESELLSCHAFT (DE) 1985-02-20 EP disclosed
US-4399287-A POSTEMERGENCE HERBICIDES; PESTICIDES; PLANT GROWTH REGULATORS; DESICCANTS FBC LIMITED (GB) 1983-08-16 US disclosed
EP-0009348-B1 PESTICIDALLY ACTIVE SALTS AND COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR MANUFACTURE AND USE FBC LIMITED (GB) 1983-07-20 EP disclosed
EP-0026034-B1 5-AMINO-4-CYANO-1-(2,4,6-TRICHLOROPHENYL)PYRAZOLE, PROCESS FOR ITS PREPARATION, HERBICIDAL COMPOSITIONS CONTAINING IT AND THEIR USE FBC LIMITED (GB) 1983-03-23 EP disclosed
US-4364769-A PREEMERGENCE, POSTEMERGENCE HERBICIDES CIBA-GEIGY CORPORATION (US) 1982-12-21 US disclosed
EP-0026034-A1 5-Amino-4-cyano-1-(2,4,6-trichlorophenyl)pyrazole, process for its preparation, herbicidal compositions containing it and their use FBC LIMITED (GB) 1981-04-01 EP disclosed
WO-1981000665-A1 PLANT PHYSIOLOGICALLY ACTIVE COMPOSITION AND USE FISONS LTD (GB) 1981-03-19 WO disclosed
EP-0024841-A1 Plant physiologically active composition and use FBC LIMITED (GB) 1981-03-11 EP disclosed
EP-0022750-A1 1,3,4-Thiadiazolyloxy-phenyl ureas, their preparation and herbicides containing them CIBA-GEIGY AG (CH) 1981-01-21 EP disclosed
EP-0010396-A1 Fungicidal and herbicidal compositions, certain cyanomethane and cyanoethene derivatives being active agents thereof, the preparation of these derivatives and methods for combating fungi and weeds FBC LIMITED (GB) 1980-04-30 EP disclosed
EP-0009348-A2 Pesticidally active salts and compositions containing them and processes for their manufacture and use FBC LIMITED (GB) 1980-04-02 EP disclosed
EP-0008506-A2 Herbicidal heterocyclic compounds and compositions and methods for their use FBC LIMITED (GB) 1980-03-05 EP disclosed
EP-0007719-A2 Cyanbenzofuran derivatives, processes for their preparation and their use in herbicidal compositions; cyanobenzene, benzodioxepine, benzodioxaphosphepine and benzodioxathiepine derivatives FBC LIMITED (GB) 1980-02-06 EP disclosed
EP-0006681-A1 Herbicidal composition and method FISONS plc (GB) 1980-01-09 EP disclosed
EP-0002881-A1 5-Isoxazolylurea derivatives, their preparation, their use and compositions containing them FISONS plc (GB) 1979-07-11 EP 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.