SCHEMBL2563680

SCHEMBL2563680

O=C(Nc1cc(Oc2ccc([N+](=O)[O-])c(Cl)c2Cl)ccn1)N1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MET P08581 2/20 0.43
KDM4E B2RXH2 1/20 0.41
AXL P30530 2/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 2/20 0.39
GCK P35557 1/20 0.38
PDGFRB P09619 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FAAH O00519 1/20 0.37

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
SCHEMBL1988921 0.85 MET (0.48) MEN1KMT2AMETAXLALDH1A1
SCHEMBL2573122 0.85 KDM4E (0.42) MEN1KMT2AMETKDM4EALDH1A1
SCHEMBL2548059 0.84 KDR (0.42) METTDP1
SCHEMBL2548058 0.84 KDR (0.42) METTDP1
SCHEMBL14656568 0.84 AXL (0.43) METAXLGCKFAAH
SCHEMBL2548106 0.82 GCK (0.57) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL12279586 0.81 POLB (0.44) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL13860835 0.80 GAA (0.46) MEN1KMT2AMETAXLALDH1A1
SCHEMBL2550819 0.80 GCK (0.42) KMT2AALDH1A1TDP1GCKPDGFRB
SCHEMBL200277 0.80 AXL (0.50) MEN1KMT2AMETAXLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000471-B2 Pyrazole P38 map kinase inhibitors RESPIVERT LIMITED (GB) 2018-06-19 US disclosed
US-20170362208-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2017-12-21 US disclosed
US-20170362208-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2017-12-21 US disclosed
US-9771354-B2 Pyrazole p38 map kinase inhibitors RESPIVERT LTD. (GB) 2017-09-26 US disclosed
US-9771354-B2 Pyrazole p38 map kinase inhibitors RESPIVERT LTD. (GB) 2017-09-26 US disclosed
US-20160130256-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2016-05-12 US disclosed
US-20160130256-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2016-05-12 US disclosed
EP-2556065-B1 PYRAZOLE P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2014-12-17 EP disclosed
EP-2556065-A1 PYRAZOLE P38 MAP KINASE INHIBITORS Respivert Limited (GB) 2013-02-13 EP disclosed
US-20130029990-A1 PYRAZOLE P38 MAP KINASE INHIBITORS RESPIVERT LTD. (GB) 2013-01-31 US disclosed
WO-2011121366-A1 PYRAZOLE P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2011-10-06 WO disclosed
WO-2011121366-A1 PYRAZOLE P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2011-10-06 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 (4 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-20170362208-A1 NOVEL COMPOUNDS ARG1, IL1B, LTB4R MEN1 3387/4885KMT2A 2764/4885MET 3969/4885
US-10000471-B2 Pyrazole P38 map kinase inhibitors MAPK1, MAP3K1, MAPK3 MEN1 4419/4885KMT2A 2657/4885MET 3550/4885
US-20160130256-A1 NOVEL COMPOUNDS ARG1, IL1B, LTB4R MEN1 3387/4885KMT2A 2764/4885MET 3969/4885
US-20130029990-A1 PYRAZOLE P38 MAP KINASE INHIBITORS MAPK1, MAP3K1, MAPK3 MEN1 4479/4885KMT2A 2611/4885MET 3519/4885

“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.