SCHEMBL4876418

SCHEMBL4876418

CC(C)(C)CNC(=O)c1ccc(Br)c(NC(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.53
CNR1 P21554 3/20 0.53
HDAC1 Q13547 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
NAMPT P43490 1/20 0.43
ADORA2A P29274 1/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK14 Q16539 1/20 0.41
BCHE P06276 1/20 0.41
CHEK1 O14757 1/20 0.40
PPARG P37231 1/20 0.40
ECE1 P42892 1/20 0.39
MAPT P10636 2/20 0.38
SNCA P37840 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL14269533 0.81 CNR2 (0.54) CNR2CNR1HDAC1HDAC8HDAC6
SCHEMBL4884688 0.80 CNR2 (0.55) CNR2CNR1NAMPTADORA2AHPGD
SCHEMBL3894629 0.80 CNR2 (0.57) CNR2CNR1HDAC6NAMPTADORA2A
SCHEMBL4876419 0.76 CNR2 (0.57) CNR2CNR1NAMPTADORA2AHPGD
SCHEMBL4882979 0.75 CNR2 (0.53) CNR2CNR1NAMPTADORA2AHPGD
SCHEMBL3890880 0.75 CNR2 (0.53) CNR2CNR1HDAC8HDAC6NAMPT
SCHEMBL17865785 0.75 ADORA2A (0.59) CNR2CNR1HDAC1HDAC8HDAC6
SCHEMBL3893570 0.74 MAPT (0.57) CNR2CNR1HPGDALDH1A1MAPT
SCHEMBL20206539 0.74 CNR2 (0.52) CNR2CNR1NAMPTADORA2AHPGD
SCHEMBL22040703 0.72 HDAC1 (0.60) CNR2CNR1HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051416-A1 Novel Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-02-28 US disclosed
EP-1805132-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-07-11 EP disclosed
WO-2006110173-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-19 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-20080051416-A1 Novel Compounds MAPK1, MAPKAPK2, MAPK6 CNR2 1310/4885CNR1 981/4885HDAC1 263/4885

“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.