SCHEMBL5163906

SCHEMBL5163906

O=C1NC(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.81
KMT2A Q03164 8/20 0.67
MEN1 O00255 6/20 0.67
MITF O75030 2/20 0.67
G6PD P11413 2/20 0.65
GFER P55789 1/20 0.65
GSK3A P49840 1/20 0.65
GSK3B P49841 1/20 0.65
NPSR1 Q6W5P4 2/20 0.62
KDM4E B2RXH2 1/20 0.62
PKM P14618 1/20 0.62
POLB P06746 4/20 0.61
METAP1 P53582 1/20 0.59
DUSP3 P51452 1/20 0.59
MAPT P10636 5/20 0.58
LMNA P02545 3/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
MCL1 Q07820 2/20 0.58
ALDH1A1 P00352 2/20 0.58
CACNA1B Q00975 1/20 0.58

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
SCHEMBL5145120 0.83 BRAF (0.68) BRAFKMT2AMEN1MITFGSK3A
SCHEMBL5145115 0.83 BRAF (0.68) BRAFKMT2AMEN1MITFGSK3A
SCHEMBL3761898 0.81 PIK3CG (0.67) BRAFKMT2AMEN1MITFG6PD
SCHEMBL5145111 0.81 MAPT (0.68) BRAFKMT2AMEN1MITFG6PD
SCHEMBL6391067 0.81 KMT2A (0.66) BRAFKMT2AMEN1MITFGSK3A
SCHEMBL10036665 0.81 KMT2A (0.74) BRAFKMT2AMEN1MITFG6PD
SCHEMBL10018549 0.81 KMT2A (0.74) BRAFKMT2AMEN1MITFG6PD
SCHEMBL6858664 0.79 GSK3A (0.74) BRAFKMT2AMEN1GSK3AGSK3B
SCHEMBL3897840 0.78 DUSP3 (0.73) BRAFKMT2AMEN1GSK3AGSK3B
SCHEMBL3897845 0.78 DUSP3 (0.73) BRAFKMT2AMEN1GSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010136804-A1 PYRIMIDINE DERIVATIVES FOR USE AS ANTIBIOTICS ASTON UNIVERSITY (GB) 2010-12-02 WO disclosed
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 4079/4885KMT2A 4410/4885MEN1 4004/4885

“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.