SCHEMBL5162914

SCHEMBL5162914

Cc1cc(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)cc([N+](=O)[O-])c1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.64
SIRT2 Q8IXJ6 4/20 0.54
MAPT P10636 5/20 0.53
MCL1 Q07820 5/20 0.53
LMNA P02545 2/20 0.53
RECQL P46063 1/20 0.53
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
POLB P06746 5/20 0.53
L3MBTL1 Q9Y468 5/20 0.53
GAA P10253 1/20 0.53
GSK3A P49840 2/20 0.52
GSK3B P49841 2/20 0.52
KDM4E B2RXH2 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
PKM P14618 2/20 0.50
ALDH1A1 P00352 3/20 0.49
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49
MITF O75030 1/20 0.49

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
SCHEMBL5147260 0.88 BRAF (0.69) BRAFSIRT2MAPTMCL1LMNA
SCHEMBL6397299 0.83 BRAF (0.68) BRAFSIRT2MAPTMCL1LMNA
SCHEMBL5164047 0.81 BRAF (0.65) BRAFSIRT2MAPTMCL1LMNA
SCHEMBL5145021 0.81 BRAF (0.71) BRAFSIRT2MAPTMCL1LMNA
SCHEMBL5145111 0.79 MAPT (0.68) BRAFSIRT2MAPTMCL1LMNA
SCHEMBL1065118 0.79 MAPT (0.80) BRAFMAPTMCL1LMNARECQL
SCHEMBL1065120 0.79 MAPT (0.80) BRAFMAPTMCL1LMNARECQL
SCHEMBL5166576 0.79 GSK3A (0.69) BRAFSIRT2MAPTMCL1LMNA
SCHEMBL5166572 0.79 GSK3A (0.69) BRAFSIRT2MAPTMCL1LMNA
SCHEMBL3769626 0.75 GSK3B (0.72) BRAFSIRT2MAPTMCL1LMNA

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
EP-1718308-A4 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORP (CA) 2007-07-18 EP disclosed
EP-1718308-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PainCeptor Pharma Corp. (CA) 2006-11-08 EP disclosed
US-20050282840-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2005-12-22 US disclosed
WO-2005076695-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2005-08-25 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-20050282840-A1 Methods of modulating neurotrophin-mediated activity NGF, BDNF, NTRK2 BRAF 4079/4885SIRT2 1915/4885MAPT 2096/4885

“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.