SCHEMBL10120314

SCHEMBL10120314

CN(C)c1ccc(-c2nc3cnccn3c2NCC(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 13/20 0.50
MAPT P10636 8/20 0.50
KDM4E B2RXH2 7/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
CASP1 P29466 3/20 0.50
CASP7 P55210 3/20 0.50
TP53 P04637 3/20 0.50
HSD17B10 Q99714 2/20 0.50
RXFP1 Q9HBX9 2/20 0.50
ALOX15 P16050 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
TLR9 Q9NR96 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL14963705 0.94 GAA (0.51) GAAMAPTKDM4EALDH1A1HPGD
SCHEMBL10049146 0.91 GAA (0.57) GAAMAPTKDM4EALDH1A1HPGD
SCHEMBL10120191 0.89 GAA (0.53) GAAMAPTKDM4EALDH1A1HPGD
SCHEMBL17772022 0.89 GAA (0.51) GAAMAPTKDM4EALDH1A1HPGD
SCHEMBL10120189 0.89 GAA (0.51) GAAMAPTKDM4EALDH1A1HPGD
SCHEMBL10120313 0.89 MAPT (0.46) GAAMAPTKDM4EALDH1A1HPGD
SCHEMBL10049150 0.86 GAA (0.52) GAAMAPTKDM4EALDH1A1HPGD
SCHEMBL10120435 0.86 MAPT (0.45) GAAMAPTKDM4EALDH1A1HPGD
SCHEMBL15184016 0.86 GAA (0.49) GAAMAPTKDM4EALDH1A1HPGD
SCHEMBL14963861 0.85 GAA (0.50) GAAMAPTKDM4EALDH1A1HPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601194-B1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MERCK SHARP & DOHME (US) 2016-05-25 EP disclosed
US-8871929-B2 Fused-imidazoyl compounds useful as antimicrobial agents MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-8871929-B2 Fused-imidazoyl compounds useful as antimicrobial agents MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-20130210816-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MERCK SHARP & DOHME LLC 2013-08-15 US disclosed
US-20130210816-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MERCK SHARP & DOHME LLC 2013-08-15 US disclosed
WO-2012018662-A2 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-20130210816-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MRPL21, ARG1, RPS4Y1 GAA 2781/4885MAPT 4607/4885KDM4E 3155/4885

“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.