SCHEMBL2475433

SCHEMBL2475433

COc1cc([N+](=O)[O-])ccc1Oc1ccnc(N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.55
TDP1 Q9NUW8 1/20 0.54
NOS3 P29474 1/20 0.49
NOS1 P29475 1/20 0.49
NOS2 P35228 1/20 0.49
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
TTR P02766 2/20 0.44
PDGFRA P16234 1/20 0.44
KDR P35968 1/20 0.44
PDE7A Q13946 1/20 0.44
RAF1 P04049 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP19A1 P11511 1/20 0.43
PTGS2 P35354 1/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL1192691 0.86 ALDH1A1 (0.49) HTTTDP1NOS3NOS1NOS2
SCHEMBL29414896 0.86 ALDH1A1 (0.49) HTTTDP1NOS3NOS1NOS2
SCHEMBL197935 0.83 HSPB1 (0.53) TDP1KMT2AMEN1ALDH1A1MAPT
SCHEMBL30222233 0.83 PDE7A (0.65) KMT2AMEN1ALDH1A1MAPTPDE7A
SCHEMBL4340804 0.83 PDE7A (0.65) KMT2AMEN1ALDH1A1MAPTPDE7A
SCHEMBL30844467 0.83 HSPB1 (0.53) TDP1KMT2AMEN1ALDH1A1MAPT
SCHEMBL2473090 0.80 RAF1 (0.45) HTTTDP1KMT2AMEN1ALDH1A1
SCHEMBL4229181 0.80 ALDH1A1 (0.69) HTTTDP1KMT2AMEN1ALDH1A1
SCHEMBL310869 0.80 HTT (0.62) HTTTDP1KMT2AMEN1ALDH1A1
SCHEMBL3552198 0.79 ALDH1A1 (0.59) HTTNOS3NOS1NOS2KMT2A

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 10 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
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-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
US-20110312963-A1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2011-12-22 US disclosed
US-20110312963-A1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2011-12-22 US disclosed
EP-2370429-A1 P38 MAP KINASE INHIBITORS Respivert Limited (GB) 2011-10-05 EP disclosed
WO-2010067130-A1 P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2010-06-17 WO disclosed
WO-2010067130-A1 P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2010-06-17 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-20110312963-A1 P38 MAP KINASE INHIBITORS MAPKAPK2, MAPK1, MAPKAPK3 HTT 4844/4885TDP1 1443/4885NOS3 395/4885

“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.