SCHEMBL16264397

SCHEMBL16264397

COC(=O)Nc1cc(C(=O)Nc2sccc2C(=O)Nc2ccccn2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 8/20 0.49
RAB9A P51151 8/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
TP53 P04637 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 3/20 0.48
F2 P00734 1/20 0.48
GAA P10253 1/20 0.48
MAPK10 P53779 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
FLT3 P36888 1/20 0.44

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
SCHEMBL16264546 0.83 CYP2C9 (0.58) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7567658 0.77 KMT2A (0.54) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL16264394 0.77 MAPK10 (0.57) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL16264384 0.76 POLB (0.50) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL17903908 0.76 CYP2C9 (0.56) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL16264472 0.75 CYP2C9 (0.58) SMN1; SMN2NPC1RAB9AL3MBTL1KDM4E
SCHEMBL17906100 0.75 CYP2C9 (0.55) SMN1; SMN2NPC1RAB9AL3MBTL1KDM4E
SCHEMBL16264535 0.75 CYP2C9 (0.53) MEN1KMT2ASMN1; SMN2KDM4EMAPK10
SCHEMBL17266541 0.74 NPC1 (0.66) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL29655221 0.74 NPC1 (0.66) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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 2 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
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 MEN1 3943/4885KMT2A 3579/4885SMN1; SMN2 4883/4885

“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.