SCHEMBL2549682

SCHEMBL2549682

Nc1cc(Oc2ccc([N+](=O)[O-])c(Cl)c2Cl)ncn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TTR P02766 1/20 0.45
ALB P02768 1/20 0.45
THRB P10828 1/20 0.45
PDE7A Q13946 2/20 0.39
MET P08581 3/20 0.39
HTT P42858 1/20 0.36
PIN1 Q13526 2/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL2476038 0.81 MAPT (0.40) TDP1MEN1KMT2ATTRALB
SCHEMBL2551316 0.79 TDP1 (0.51) TDP1MEN1KMT2ATTRALB
SCHEMBL4468270 0.79 PDE7A (0.58) TDP1MEN1KMT2APDE7AGAA
SCHEMBL2549702 0.76 TDP1 (0.45) TDP1MEN1KMT2ATTRALB
SCHEMBL20605311 0.74 ALDH1A1 (0.49) TDP1MEN1KMT2APDE7AHTT
SCHEMBL199649 0.74 HSPB1 (0.54) TDP1MEN1KMT2APDE7AMET
SCHEMBL2550803 0.72 NPC1 (0.42) TDP1MEN1KMT2ATTRALB
SCHEMBL1894479 0.71 HTT (0.52) MEN1KMT2APDE7AHTTGAA
SCHEMBL21681366 0.69 TDP1 (0.41) TDP1MEN1KMT2ATTRALB
SCHEMBL21681375 0.68 MEN1 (0.75) TDP1MEN1KMT2ATTRALB

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 20 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-10000471-B2 Pyrazole P38 map kinase inhibitors RESPIVERT LIMITED (GB) 2018-06-19 US disclosed
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-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-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
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-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
US-20130029990-A1 PYRAZOLE P38 MAP KINASE INHIBITORS RESPIVERT LTD. (GB) 2013-01-31 US 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 TDP1 2420/4885MEN1 3387/4885KMT2A 2764/4885
US-10000471-B2 Pyrazole P38 map kinase inhibitors MAPK1, MAP3K1, MAPK3 TDP1 940/4885MEN1 4419/4885KMT2A 2657/4885
US-20160130256-A1 NOVEL COMPOUNDS ARG1, IL1B, LTB4R TDP1 2420/4885MEN1 3387/4885KMT2A 2764/4885
US-20130029990-A1 PYRAZOLE P38 MAP KINASE INHIBITORS MAPK1, MAP3K1, MAPK3 TDP1 1005/4885MEN1 4479/4885KMT2A 2611/4885

“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.