SCHEMBL629944

SCHEMBL629944

COc1ccccc1C1C(=O)N=C(c2ncccn2)NC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.43
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
GSK3B P49841 6/20 0.37
GSK3A P49840 4/20 0.36
POLB P06746 1/20 0.36
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GAA P10253 1/20 0.36
CDK5 Q00535 1/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL627191 0.79 RAB9A (0.35) HSD11B1KMT2AMEN1USP2KDM4E
SCHEMBL9044821 0.72 KMT2A (0.39) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL9044806 0.72 KMT2A (0.39) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL13430583 0.71
SCHEMBL8055478 0.66 CRBN (0.30) GSK3B
SCHEMBL5675756 0.65 KMT2A (0.46) HSD11B1KMT2AMEN1USP2MAPT
SCHEMBL5677692 0.64 CDYL2 (0.46) KMT2AMEN1USP2MAPTKDM4E
SCHEMBL14939263 0.64 RAB9A (0.57) HSD11B1KMT2AMEN1USP2MAPT
SCHEMBL31559140 0.63 SMN1; SMN2 (0.37) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL11115795 0.62 ALDH1A1 (0.64) HSD11B1KMT2AMEN1USP2MAPT

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-20120136015-A1 PROCESS FOR PREPARATION OF ENDOTHELIAL RECEPTOR ANTAGONIST (BOSENTAN) SANDOZ AG (CH) 2012-05-31 US disclosed
EP-2419421-A1 PROCESS FOR PREPARATION OF ENDOTHELIAL RECEPTOR ANTAGONIST (BOSENTAN) Sandoz AG (CH) 2012-02-22 EP disclosed
WO-2010118992-A1 PROCESS FOR PREPARATION OF ENDOTHELIAL RECEPTOR ANTAGONIST (BOSENTAN) SANDOZ AG (CH) 2010-10-21 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-20120136015-A1 PROCESS FOR PREPARATION OF ENDOTHELIAL RECEPTOR ANTAGONIST (BOSENTAN) EDNRA, EDNRB, TBXA2R HSD11B1 2547/4885KMT2A 3799/4885MEN1 4622/4885

“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.