SCHEMBL3893570

SCHEMBL3893570

CC(C)(C)CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
LMNA P02545 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
GPR55 Q9Y2T6 1/20 0.57
ALDH1A1 P00352 5/20 0.52
CNR2 P34972 4/20 0.52
CNR1 P21554 3/20 0.52
HSP90AA1 P07900 1/20 0.51
HPGD P15428 1/20 0.51
GAA P10253 1/20 0.46
THRA P10827 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL13753323 0.85 MAPT (0.49) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL11602108 0.80 MAPT (0.52) MAPTLMNACYP3A4CYP2D6ALDH1A1
SCHEMBL3894629 0.79 CNR2 (0.57) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL4884688 0.76 CNR2 (0.55) ALDH1A1CNR2CNR1HPGD
SCHEMBL4876419 0.75 CNR2 (0.57) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL478142 0.75 MAPT (0.56) MAPTLMNACYP2D6ALDH1A1GAA
SCHEMBL29559211 0.75 MAPT (0.56) MAPTLMNACYP2D6ALDH1A1GAA
SCHEMBL10948000 0.74 VCAM1 (0.62) MAPTLMNACYP2D6ALDH1A1HPGD
SCHEMBL2156916 0.74 CES1 (0.54) MAPTLMNACYP2D6ALDH1A1GAA
SCHEMBL4882979 0.74 CNR2 (0.53) MAPTLMNACYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572790-B2 Biphenyl carboxylic amide p38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-08-11 US disclosed
US-20070129354-A1 Biphenyl carboxylic amide p38 kinase inhibitors GLAXOSMITHKLINE LLC 2007-06-07 US disclosed
EP-1608616-A1 BIPHENYL CARBOXYLIC AMIDE P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-12-28 EP disclosed
WO-2004089874-A1 BIPHENYL CARBOXYLIC AMIDE P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-10-21 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-20070129354-A1 Biphenyl carboxylic amide p38 kinase inhibitors MAPK1, MAPKAPK2, MAPK7 MAPT 964/4885LMNA 4351/4885CYP1A2 197/4885

“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.