SCHEMBL14476293

SCHEMBL14476293

CCOC(=O)c1cnc2c(C)cc(SC)nc2c1Br

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SYK P43405 2/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CSNK1D P48730 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HSP90AA1 P07900 1/20 0.39
THRB P10828 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
SCHEMBL14476352 0.86 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1MAPTTDP1
SCHEMBL15979036 0.72 MAPK1 (0.46) ALDH1A1KMT2AMEN1MAPTTDP1
SCHEMBL29531815 0.72 MAPK1 (0.46) ALDH1A1KMT2AMEN1MAPTTDP1
SCHEMBL14358010 0.72 DPP4 (0.51) ALDH1A1KMT2AMEN1MAPTTDP1
SCHEMBL1812364 0.71 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1MAPTTDP1
SCHEMBL4711255 0.70 KDM4E (0.50) ALDH1A1KMT2AMEN1MAPTTDP1
SCHEMBL6715607 0.69 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL1164191 0.68 KMT2A (0.49) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL730189 0.68 MAPK1 (0.46) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL20489592 0.68 LMNA (0.46) ALDH1A1KMT2AMEN1MAPTTDP1

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-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORPORATION (US) 2014-08-28 US disclosed
US-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORPORATION (US) 2014-08-28 US disclosed
WO-2013003383-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 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-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS PAICS, SBDS, SORD ALDH1A1 802/4885KMT2A 3965/4885MEN1 3154/4885

“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.