SCHEMBL1979745

SCHEMBL1979745

CC(C)(COc1ccc([N+](=O)[O-])c2ccccc12)c1ccnc(NC(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
POLB P06746 3/20 0.46
NPC1 O15118 3/20 0.46
ALDH1A1 P00352 5/20 0.42
HPGD P15428 1/20 0.42
AAK1 Q2M2I8 1/20 0.41
LMNA P02545 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HCK P08631 4/20 0.38
MAPK12 P53778 4/20 0.38
MAPK14 Q16539 4/20 0.38
MAPT P10636 2/20 0.38
NR3C2 P08235 1/20 0.38
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL1979750 1.00 RAB9A (0.46) RAB9ASMN1; SMN2POLBNPC1ALDH1A1
SCHEMBL12541454 0.90 AAK1 (0.43) RAB9ASMN1; SMN2POLBNPC1ALDH1A1
SCHEMBL1979511 0.84 AAK1 (0.46) SMN1; SMN2AAK1MEN1KMT2AHCK
SCHEMBL2309475 0.82 POLB (0.45) RAB9ASMN1; SMN2POLBNPC1ALDH1A1
SCHEMBL2309465 0.82 POLB (0.45) RAB9ASMN1; SMN2POLBNPC1ALDH1A1
SCHEMBL1978086 0.79 MAPK14 (0.48) RAB9ASMN1; SMN2POLBNPC1ALDH1A1
SCHEMBL1978082 0.79 MAPK14 (0.48) RAB9ASMN1; SMN2POLBNPC1ALDH1A1
SCHEMBL1981836 0.79 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2POLBNPC1ALDH1A1
SCHEMBL1981833 0.79 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2POLBNPC1ALDH1A1
SCHEMBL13331035 0.79 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2POLBNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2370428-B1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2016-08-10 EP disclosed
US-8299073-B2 P38 MAP kinase inhibitors RESPIVERT LTD. (GB) 2012-10-30 US disclosed
EP-2509595-A1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION Respivert Limited (GB) 2012-10-17 EP disclosed
US-20110294812-A1 P38 MAP KINASE INHIBITORS RESPIVERT LTD. (GB) 2011-12-01 US disclosed
EP-2370428-A1 P38 MAP KINASE INHIBITORS Respivert Limited (GB) 2011-10-05 EP disclosed
WO-2011070368-A1 ANTIVIRAL USE OF UREA COMPOUNDS RESPIVERT LIMITED (GB) 2011-06-16 WO disclosed
WO-2011070369-A1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION RESPIVERT LIMITED (GB) 2011-06-16 WO disclosed
WO-2010067131-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-20110294812-A1 P38 MAP KINASE INHIBITORS MAPK1, MAP3K1, MAPK3 RAB9A 1531/4885SMN1; SMN2 2648/4885POLB 534/4885

“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.