SCHEMBL20180622

SCHEMBL20180622

O=C1OCNC(Cc2ccc(O)cc2)C(=O)O[C@@]2(NC1Cc1ccc(O)cc1)NC(Cc1ccc(O)cc1)C(=O)O2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 4/20 0.38
CAPN1 P07384 1/20 0.35
KDM1A O60341 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
HDAC8 Q9BY41 2/20 0.33
GAA P10253 1/20 0.33
ITGB1 P05556 2/20 0.33
ITGA4 P13612 2/20 0.33
BCHE P06276 1/20 0.32
P4HB P07237 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
MLNR O43193 1/20 0.31

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
SCHEMBL8181399 0.88 CACNA1G (0.44) CACNA1GCAPN1KDM1ADRD2DRD4
SCHEMBL20977566 0.80 CACNA1G (0.39) CACNA1GCAPN1KDM1ADRD2DRD4
SCHEMBL20977455 0.79 CACNA1G (0.43) CACNA1GCAPN1KDM1ADRD2DRD4
SCHEMBL8664410 0.73 HDAC8 (0.54) CACNA1GHDAC8MAPT
SCHEMBL25455638 0.69 CYP19A1 (0.42) KDM1ADRD2DRD4GAAKMT2A
SCHEMBL5218486 0.68 CACNA1G (0.41) CACNA1GKMT2AMAPTPKM
SCHEMBL313093 0.68 CACNA1G (0.42) CACNA1GCAPN1KDM1ADRD2DRD4
SCHEMBL22546605 0.65 NPC1 (0.45) DRD2GAAKDM4E
SCHEMBL13876425 0.64 MLNR (0.53) KDM1ADRD2DRD4BCHEKDM4E
SCHEMBL13399671 0.63 GAA (0.50) CAPN1KDM1ADRD2DRD4GAA

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-10264766-B2 Antimicrobial compounds and compositions, and uses thereof Akeso Biomedical, Inc. (US) 2019-04-23 US disclosed
US-20180199550-A1 ANTIMICROBIAL COMPOUNDS AND COMPOSITIONS, AND USES THEREOF Akeso Biomedical, Inc. 2018-07-19 US disclosed
US-20180139932-A1 ANTIMICROBIAL COMPOUNDS AND COMPOSITIONS, AND USES THEREOF Akeso Biomedical, Inc. 2018-05-24 US 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 (3 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-20180139932-A1 ANTIMICROBIAL COMPOUNDS AND COMPOSITIONS, AND USES THEREOF TYR, TH, DDC CACNA1G 2278/4885CAPN1 4778/4885KDM1A 711/4885
US-10264766-B2 Antimicrobial compounds and compositions, and uses thereof TYR, TH, DDC CACNA1G 2309/4885CAPN1 4777/4885KDM1A 715/4885
US-20180199550-A1 ANTIMICROBIAL COMPOUNDS AND COMPOSITIONS, AND USES THEREOF TYR, TH, DDC CACNA1G 2278/4885CAPN1 4778/4885KDM1A 711/4885

“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.