SCHEMBL2566864

SCHEMBL2566864

COCC(=O)Nc1cc(Oc2ccc([N+](=O)[O-])c(SC)c2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
POLB P06746 2/20 0.47
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPK14 Q16539 5/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
GCK P35557 1/20 0.39
KDR P35968 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
RIOK2 Q9BVS4 3/20 0.39
GSK3A P49840 1/20 0.38
MAPK10 P53779 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
SCHEMBL28690813 0.87 NPC1 (0.43) SMN1; SMN2NPC1RAB9APOLBALDH1A1
SCHEMBL13504162 0.87 LMNA (0.58) SMN1; SMN2NPC1RAB9APOLBALDH1A1
SCHEMBL29397232 0.86 MEN1 (0.44) POLBLMNAMAPK14MEN1KMT2A
SCHEMBL2557164 0.86 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9APOLBALDH1A1
SCHEMBL13504214 0.86 NPC1 (0.53) SMN1; SMN2NPC1RAB9APOLBALDH1A1
SCHEMBL4330329 0.84 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9APOLBALDH1A1
SCHEMBL2562402 0.83 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9APOLBALDH1A1
SCHEMBL2559158 0.83 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9APOLBALDH1A1
SCHEMBL13504268 0.83 POLB (0.53) SMN1; SMN2NPC1RAB9APOLBALDH1A1
SCHEMBL13504178 0.81 RAB9A (0.53) SMN1; SMN2NPC1RAB9APOLBALDH1A1

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 14 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-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
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 SMN1; SMN2 3419/4885NPC1 1221/4885RAB9A 1341/4885
US-10000471-B2 Pyrazole P38 map kinase inhibitors MAPK1, MAP3K1, MAPK3 SMN1; SMN2 4182/4885NPC1 3313/4885RAB9A 1137/4885
US-20160130256-A1 NOVEL COMPOUNDS ARG1, IL1B, LTB4R SMN1; SMN2 3419/4885NPC1 1221/4885RAB9A 1341/4885
US-20130029990-A1 PYRAZOLE P38 MAP KINASE INHIBITORS MAPK1, MAP3K1, MAPK3 SMN1; SMN2 4102/4885NPC1 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.