SCHEMBL10120106

SCHEMBL10120106

Cc1cccc2nc(-c3ccc(N4CCOCC4)nc3)c(NCC(=O)N3CCN(c4c(Cl)cncc4Cl)CC3)n12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.43
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.41
TP53 P04637 1/20 0.41
KDR P35968 2/20 0.38
ETV6 P41212 2/20 0.38
JAK1 P23458 1/20 0.38
RET P07949 3/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GRM2 Q14416 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
RAB9A P51151 1/20 0.35
DGAT1 O75907 1/20 0.35

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
SCHEMBL10120112 0.93 CNR2 (0.41) CNR2KDRETV6JAK1RET
SCHEMBL10120067 0.91 MAPT (0.52) MAPTGAATP53KDM4EALDH1A1
SCHEMBL15179409 0.87 CNR2 (0.42) CNR2MAPTGAATP53KDR
SCHEMBL10120099 0.85 ALOX5 (0.43) CNR2MAPTGAATP53KDR
SCHEMBL15179450 0.84 GAA (0.44) CNR2MAPTGAATP53KDR
SCHEMBL10120063 0.83 MAPT (0.42) MAPTGAATP53KDM4ELMNA
SCHEMBL10120303 0.82 GAA (0.45) CNR2MAPTGAATP53KDR
SCHEMBL15179314 0.80 MAPT (0.39) MAPTGAATP53KDM4ELMNA
SCHEMBL15179467 0.79 KDM4E (0.40) CNR2GAAKDRETV6JAK1
SCHEMBL15179464 0.79 CNR2 (0.39) CNR2GAAKDRETV6JAK1

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 CNR2 2507/4885MAPT 4607/4885GAA 2781/4885

“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.