SCHEMBL16264405

SCHEMBL16264405

CC(=O)Nc1cc(C(=O)Nc2sccc2C(=O)N2CCOCC2)ccn1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
MEN1 O00255 1/20 0.62
PIK3C3 Q8NEB9 4/20 0.55
PDE10A Q9Y233 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
MAPT P10636 4/20 0.42
GSK3B P49841 3/20 0.42
MOK Q9UQ07 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.40
IKBKE Q14164 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL16264389 0.90 PIK3C3 (0.52) KMT2AMEN1PIK3C3GAACCNT1
SCHEMBL16264394 0.80 MAPK10 (0.57) KMT2AMEN1PIK3C3GAAHTT
SCHEMBL16264478 0.78 CYP2C9 (0.52) KMT2AMEN1GAAHTTMAPT
SCHEMBL16264498 0.78 PIK3C3 (0.49) KMT2AMEN1PIK3C3GAAMAPT
SCHEMBL16264367 0.75 MEN1 (0.47) KMT2AMEN1GAAHTTMAPT
SCHEMBL16264384 0.75 POLB (0.50) KMT2AMEN1HTTMAPTGSK3B
SCHEMBL16264472 0.74 CYP2C9 (0.58) KDM4E
SCHEMBL17905898 0.73 CYP2C9 (0.51) KMT2AMEN1GAAMAPTGSK3B
SCHEMBL17905920 0.73 PIK3C3 (0.47) PIK3C3
SCHEMBL16264380 0.72 POLB (0.43) KMT2AMEN1GAAHTTMAPT

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-20160194299-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH 2016-07-07 US disclosed
US-20160194299-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH 2016-07-07 US disclosed
WO-2014190199-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-11-27 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-20160194299-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS FNTB, PGLS, EP300 KMT2A 3579/4885MEN1 3943/4885PIK3C3 2767/4885

“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.