SCHEMBL2562402

SCHEMBL2562402

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.41
KDR P35968 2/20 0.40
BRAF P15056 1/20 0.40
MAPK14 Q16539 7/20 0.40
VCAM1 P19320 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GCK P35557 1/20 0.39

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
SCHEMBL2557164 0.87 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9APOLBALDH1A1
SCHEMBL2559700 0.87 MAPK14 (0.46) POLBLMNAKDRBRAFMAPK14
SCHEMBL13504162 0.86 LMNA (0.58) SMN1; SMN2NPC1RAB9APOLBALDH1A1
SCHEMBL13504214 0.85 NPC1 (0.53) SMN1; SMN2NPC1RAB9APOLBALDH1A1
SCHEMBL14656101 0.84 MAPK14 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1KDR
SCHEMBL2566864 0.83 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9APOLBALDH1A1
SCHEMBL4330329 0.83 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9APOLBALDH1A1
SCHEMBL2559158 0.82 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9APOLBALDH1A1
SCHEMBL13504268 0.82 POLB (0.53) SMN1; SMN2NPC1RAB9APOLBALDH1A1
SCHEMBL13504178 0.80 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 11 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

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.