SCHEMBL10049199

SCHEMBL10049199

CC(Nc1c(-c2ccc(N(C)C)cc2)nc2cnccn12)C(=O)N1CCN(c2ccc(F)cc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.47
MAPT P10636 7/20 0.47
KDM4E B2RXH2 5/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CASP1 P29466 3/20 0.42
CASP7 P55210 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 0.39
TUBA3C P0DPH7 2/20 0.39
TUBA1B P68363 2/20 0.39
TUBA4A P68366 2/20 0.39
TUBB4B P68371 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
SCHEMBL14963754 0.94 GAA (0.47) GAAMAPTKDM4ENPC1RAB9A
SCHEMBL14963718 0.91 GAA (0.42) GAAMAPTKDM4ENPC1RAB9A
SCHEMBL14963757 0.89 GAA (0.44) GAAMAPTKDM4ENPC1RAB9A
SCHEMBL14963765 0.87 TUBB4A (0.42) GAAMAPTKDM4EALDH1A1CASP1
SCHEMBL14963698 0.85 GAA (0.52) GAAMAPTKDM4ENPC1RAB9A
SCHEMBL10049196 0.85 GAA (0.51) GAAMAPTKDM4ENPC1RAB9A
SCHEMBL14963741 0.85 GAA (0.55) GAAMAPTKDM4ENPC1RAB9A
SCHEMBL10049200 0.85 GAA (0.55) GAAMAPTKDM4ENPC1RAB9A
SCHEMBL14963739 0.83 GAA (0.48) GAAMAPTKDM4ENPC1RAB9A
SCHEMBL14969731 0.83 NCF1 (0.45) GAAMAPTKDM4ENPC1RAB9A

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 1859/4885MAPT 4606/4885KDM4E 4027/4885

“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.