SCHEMBL14358010

SCHEMBL14358010

CCOC(=O)c1cnc2c(C)cc(OC)cc2c1Br

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.51
HPGD P15428 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 6/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
THRB P10828 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NMT1 P30419 1/20 0.43
GAA P10253 2/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL3272999 0.88 DPP4 (0.49) DPP4HPGDMAPTMEN1KMT2A
SCHEMBL14358395 0.86 DPP4 (0.52) DPP4HPGDCYP3A4MAPTMEN1
SCHEMBL14358077 0.84 POLB (0.42) DPP4HPGDMAPTKMT2AALDH1A1
SCHEMBL2947439 0.80 MAPT (0.62) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL29208291 0.78 MAPT (0.53) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL3830753 0.76 MAPT (0.60) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL730189 0.74 MAPK1 (0.46) DPP4MAPTMEN1KMT2AALDH1A1
SCHEMBL14358292 0.74 PDE4B (0.36) HPGDCYP3A4MAPTMEN1KMT2A
SCHEMBL26632756 0.74 MAPT (0.47) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL4652568 0.74 DPP4 (0.50) DPP4HPGDCYP3A4MAPTMEN1

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
EP-2723737-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS Kyorin Pharmaceutical Co., Ltd. (JP) 2014-04-30 EP 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 DPP4 562/4885HPGD 25/4885CYP3A4 230/4885

“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.