SCHEMBL10048658

SCHEMBL10048658

CC(Nc1c(-c2ccccc2)nc2cnccn12)C(=O)N1CCN(c2ccncc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.47
KDM4E B2RXH2 7/20 0.47
MAPT P10636 6/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
CDK9 P50750 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TP53 P04637 2/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
ALOX5 P09917 1/20 0.44
BRD4 O60885 2/20 0.44
BRAF P15056 3/20 0.44
ATM Q13315 2/20 0.41
TLR9 Q9NR96 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
SYK P43405 1/20 0.40
ALDH1A1 P00352 2/20 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
SCHEMBL10048680 0.92 GAA (0.51) GAAKDM4EMAPTNPC1RAB9A
SCHEMBL10049203 0.91 GAA (0.49) GAAKDM4EMAPTNPC1RAB9A
SCHEMBL10049196 0.90 GAA (0.51) GAAKDM4EMAPTNPC1RAB9A
SCHEMBL10048678 0.89 GAA (0.46) GAAKDM4EMAPTNPC1RAB9A
SCHEMBL10048659 0.89 GAA (0.45) GAAKDM4EMAPTNPC1RAB9A
SCHEMBL10048705 0.89 GAA (0.49) GAAKDM4EMAPTNPC1RAB9A
SCHEMBL14963720 0.88 GAA (0.47) GAAKDM4EMAPTNPC1RAB9A
SCHEMBL14963722 0.87 BRAF (0.46) GAAKDM4EMAPTNPC1RAB9A
SCHEMBL10048662 0.87 GAA (0.45) GAAKDM4EMAPTNPC1RAB9A
SCHEMBL14963768 0.87 GAA (0.42) GAAKDM4EMAPTNPC1RAB9A

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-20130131073-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MERCK SHARP & DOHME CORP. 2013-05-23 US disclosed
US-20130131073-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MERCK SHARP & DOHME CORP. 2013-05-23 US disclosed
WO-2012018665-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS SCHERING CORPORATION (US) 2012-02-09 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-20130131073-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MRPL21, ARG1, RPS4Y1 GAA 1859/4885KDM4E 4027/4885MAPT 4606/4885

“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.