SCHEMBL2554844

SCHEMBL2554844

CNC(=O)Nc1cc(COc2ccc([N+](=O)[O-])c(C)c2C)ccn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
ALDH1A1 P00352 4/20 0.45
POLB P06746 4/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
PKM P14618 1/20 0.41
GCK P35557 3/20 0.41
HPGD P15428 2/20 0.40
MAPT P10636 5/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RECQL P46063 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
SCHEMBL14687925 0.86 RAB9A (0.52) LMNAALDH1A1POLBNPC1RAB9A
SCHEMBL14701824 0.85 GCK (0.45) PKMGCKKMT2AMEN1
SCHEMBL29788823 0.83 GCK (0.56) LMNAALDH1A1POLBNPC1RAB9A
SCHEMBL2551479 0.83 GCK (0.56) LMNAALDH1A1POLBNPC1RAB9A
SCHEMBL2556127 0.83 GCK (0.44) PKMGCKKMT2AMEN1
SCHEMBL2551785 0.78 NOS3 (0.41) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12283891 0.73 GCK (0.43) PKMGCKKMT2AMEN1
SCHEMBL2558200 0.73 NPC1 (0.48) LMNAALDH1A1POLBNPC1RAB9A
SCHEMBL1987461 0.72 HCK (0.53) LMNAALDH1A1POLBNPC1RAB9A
SCHEMBL29083255 0.72 MEN1 (0.45) LMNAALDH1A1POLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2556068-B1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2019-01-23 EP disclosed
US-9024041-B2 P38 MAP kinase inhibitors RESPIVERT LTD. (GB) 2015-05-05 US disclosed
US-20130040962-A1 P38 MAP Kinase Inhibitors RESPIVERT LTD (GB) 2013-02-14 US disclosed
EP-2556068-A1 P38 MAP KINASE INHIBITORS Respivert Limited (GB) 2013-02-13 EP disclosed
WO-2011124930-A1 P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2011-10-13 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 (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-20130040962-A1 P38 MAP Kinase Inhibitors MAPK15, MAPK1, MAP3K15 LMNA 3242/4885ALDH1A1 1479/4885POLB 1398/4885

“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.