SCHEMBL13504178

SCHEMBL13504178

COCC(=O)Nc1cc(Oc2ccc([N+](=O)[O-])c(C)c2C)ccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
POLB P06746 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KDR P35968 1/20 0.45
GSK3A P49840 2/20 0.44
HCK P08631 1/20 0.44
SRC P12931 1/20 0.44
SYK P43405 1/20 0.44
GSK3B P49841 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK14 Q16539 1/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL29083255 0.86 MEN1 (0.45) RAB9ANPC1POLBSMN1; SMN2KDR
SCHEMBL2561277 0.86 SMN1; SMN2 (0.53) RAB9ANPC1POLBSMN1; SMN2KDR
SCHEMBL13504162 0.85 LMNA (0.58) RAB9ANPC1POLBSMN1; SMN2MAPK14
SCHEMBL14687925 0.85 RAB9A (0.52) RAB9ANPC1POLBSMN1; SMN2HCK
SCHEMBL13504214 0.84 NPC1 (0.53) RAB9ANPC1POLBSMN1; SMN2GSK3A
SCHEMBL29788823 0.84 GCK (0.56) RAB9ANPC1POLBSMN1; SMN2KDR
SCHEMBL2551479 0.84 GCK (0.56) RAB9ANPC1POLBSMN1; SMN2KDR
SCHEMBL13504228 0.84 MEN1 (0.54) RAB9ANPC1POLBSMN1; SMN2KDR
SCHEMBL2561684 0.84 SMN1; SMN2 (0.48) RAB9ANPC1POLBSMN1; SMN2GSK3A
SCHEMBL29083248 0.83 POLB (0.42) RAB9ANPC1POLBSMN1; SMN2KDR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2370429-B1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2016-04-20 EP disclosed
US-8299074-B2 P38 MAP kinase inhibitors RESPIVERT LTD. (GB) 2012-10-30 US disclosed
US-20110312963-A1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2011-12-22 US 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 (1 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-20110312963-A1 P38 MAP KINASE INHIBITORS MAPKAPK2, MAPK1, MAPKAPK3 RAB9A 2492/4885NPC1 2933/4885POLB 362/4885

“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.