SCHEMBL3247587

SCHEMBL3247587

CNC(=O)c1[nH]c(C(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.46
NPC1 O15118 3/20 0.37
MAPK1 P28482 3/20 0.37
RAB9A P51151 3/20 0.37
HTT P42858 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
HCAR3 P49019 1/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GPR35 Q9HC97 1/20 0.36

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
SCHEMBL3241532 0.83 CYP1A2 (0.42) MAPK14NPC1MAPK1RAB9AHTT
SCHEMBL3220272 0.82 MAPK14 (0.47) MAPK14HTTALDH1A1MAPTNPSR1
SCHEMBL13315141 0.74 MAPT (0.43) MAPK1HTTALDH1A1LMNAMAPT
SCHEMBL3244391 0.74 MAPK14 (0.53) MAPK14BRD4BRPF1CREBBP
SCHEMBL6167530 0.71 TDP1 (0.37) HTTALDH1A1HCAR3SLC6A2SLC6A4
SCHEMBL8149078 0.67 CHEK1 (0.55) NPC1MAPK1RAB9AHTTALDH1A1
SCHEMBL7031408 0.64 GPR35 (0.68) NPC1MAPK1RAB9AHTTALDH1A1
SCHEMBL3545739 0.64 MAPK14 (0.39) MAPK14HTTALDH1A1MAPTNPSR1
SCHEMBL3547072 0.64 NOTUM (0.40) HTTALDH1A1MAPTTDP1POLB
SCHEMBL2253159 0.62 HCAR3 (0.74) NPC1MAPK1RAB9AHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160371-A1 INHIBITION OF P38 KINASE ACTIVITY BY ARYL UREAS RANGES GERALD 2010-06-24 US disclosed
EP-1019040-B1 ARYL UREAS FOR THE TREATMENT OF INFLAMMATORY OR IMMUNOMODULATORY DISEASES BAYER AG (US) 2004-09-29 EP disclosed
US-20020103253-A1 Inhibition of p38 kinase activity by aryl ureas BAYER CORPORATION (US) 2002-08-01 US disclosed
US-6344476-B1 Inhibition of p38 kinase activity by aryl ureas BAYER CORPORATION 2002-02-05 US disclosed
EP-1019040-A4 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS BAYER AG (US) 2000-10-04 EP disclosed
EP-1019040-A1 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS Bayer Corporation (US) 2000-07-19 EP disclosed
WO-1998052558-A1 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS BAYER CORPORATION (US) 1998-11-26 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 (2 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-20020103253-A1 Inhibition of p38 kinase activity by aryl ureas MAPK1, MAP3K1, MAP3K7 MAPK14 40/4885NPC1 3093/4885MAPK1 1/4885
US-20100160371-A1 INHIBITION OF P38 KINASE ACTIVITY BY ARYL UREAS MAPK1, MAP3K1, MAP3K7 MAPK14 40/4885NPC1 3093/4885MAPK1 1/4885

“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.