SCHEMBL2547589

SCHEMBL2547589

Nc1cc(COc2ccc([N+](=O)[O-])c3cccnc23)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
MAPT P10636 11/20 0.48
ALDH1A1 P00352 9/20 0.48
MEN1 O00255 6/20 0.48
KDM4E B2RXH2 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
CTSB P07858 4/20 0.48
HTT P42858 3/20 0.48
GAA P10253 3/20 0.48
LMNA P02545 3/20 0.48
HSP90AA1 P07900 2/20 0.48
OPRK1 P41145 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48
BRD4 O60885 1/20 0.48
CHRM1 P11229 1/20 0.48
DRD2 P14416 1/20 0.48

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
SCHEMBL1981976 0.87 DYRK1A (0.41) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL31086675 0.87 DYRK1A (0.41) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL16879230 0.83 KMT2A (0.60) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL2550803 0.79 NPC1 (0.42) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL2551785 0.79 NOS3 (0.41) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL21816800 0.78 MAPT (0.60) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL2564140 0.77 NPC1 (0.48) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL21816865 0.76 MAPT (0.58) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL10915347 0.76 MAPT (0.61) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL12634044 0.76 CYP11B1 (0.47) KMT2ANPC1RAB9AMAPTALDH1A1

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 19 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-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 KMT2A 2764/4885NPC1 1221/4885RAB9A 1341/4885
US-10000471-B2 Pyrazole P38 map kinase inhibitors MAPK1, MAP3K1, MAPK3 KMT2A 2657/4885NPC1 3313/4885RAB9A 1137/4885
US-20160130256-A1 NOVEL COMPOUNDS ARG1, IL1B, LTB4R KMT2A 2764/4885NPC1 1221/4885RAB9A 1341/4885
US-20130029990-A1 PYRAZOLE P38 MAP KINASE INHIBITORS MAPK1, MAP3K1, MAPK3 KMT2A 2611/4885NPC1 3390/4885RAB9A 1129/4885

“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.