SCHEMBL2578043

SCHEMBL2578043

COCC(=O)Nc1cc(Oc2ccc([N+](=O)[O-])c3[nH]ncc23)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
GSK3A P49840 2/20 0.42
HCK P08631 1/20 0.42
SRC P12931 1/20 0.42
SYK P43405 1/20 0.42
GSK3B P49841 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK14 Q16539 1/20 0.42
KDR P35968 5/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CGAS Q8N884 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL14656316 0.85 MAPK14 (0.44) GSK3AHCKSRCSYKGSK3B
SCHEMBL2561277 0.84 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2POLBGSK3A
SCHEMBL13504178 0.82 RAB9A (0.53) NPC1RAB9ASMN1; SMN2POLBGSK3A
SCHEMBL2561684 0.80 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2POLBGSK3A
SCHEMBL13504214 0.79 NPC1 (0.53) NPC1RAB9ASMN1; SMN2POLBGSK3A
SCHEMBL13504162 0.78 LMNA (0.58) NPC1RAB9ASMN1; SMN2POLBMAPK14
SCHEMBL2557164 0.77 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2POLBMAPK14
SCHEMBL2557099 0.77 NPC1 (0.45) NPC1RAB9ASMN1; SMN2POLBGSK3A
SCHEMBL2554438 0.77 DYRK1A (0.42) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL13504228 0.76 MEN1 (0.54) NPC1RAB9ASMN1; SMN2POLBGSK3A

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 NPC1 1221/4885RAB9A 1341/4885SMN1; SMN2 3419/4885
US-10000471-B2 Pyrazole P38 map kinase inhibitors MAPK1, MAP3K1, MAPK3 NPC1 3313/4885RAB9A 1137/4885SMN1; SMN2 4182/4885
US-20160130256-A1 NOVEL COMPOUNDS ARG1, IL1B, LTB4R NPC1 1221/4885RAB9A 1341/4885SMN1; SMN2 3419/4885
US-20130029990-A1 PYRAZOLE P38 MAP KINASE INHIBITORS MAPK1, MAP3K1, MAPK3 NPC1 3390/4885RAB9A 1129/4885SMN1; SMN2 4102/4885

“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.