SCHEMBL10120099

SCHEMBL10120099

Cc1ccc2nc(-c3ccc(N4CCOCC4)nc3)c(NCC(=O)N3CCN(c4c(Cl)cncc4Cl)CC3)n2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
EPHX2 P34913 1/20 0.43
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNR2 P34972 4/20 0.39
KDR P35968 3/20 0.39
ETV6 P41212 3/20 0.39
RET P07949 4/20 0.39
NR1H4 Q96RI1 2/20 0.37
BRD4 O60885 1/20 0.36
SMO Q99835 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL10120068 0.91 ALOX5 (0.53) ALOX5EPHX2MAPTTP53GAA
SCHEMBL15179409 0.88 CNR2 (0.42) ALOX5MAPTTP53GAASMN1; SMN2
SCHEMBL15179450 0.87 GAA (0.44) ALOX5MAPTTP53GAACNR2
SCHEMBL10120106 0.85 CNR2 (0.43) MAPTTP53GAACNR2KDR
SCHEMBL10120303 0.85 GAA (0.45) ALOX5MAPTTP53GAACNR2
SCHEMBL10120112 0.84 CNR2 (0.41) CNR2KDRETV6RET
SCHEMBL15179454 0.83 ALOX5 (0.54) ALOX5EPHX2MAPTTP53GAA
SCHEMBL15179316 0.82 ALOX5 (0.45) ALOX5EPHX2MAPTTP53GAA
SCHEMBL15179467 0.81 KDM4E (0.40) GAACNR2KDRETV6RET
SCHEMBL15179464 0.80 CNR2 (0.39) GAACNR2KDRETV6RET

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 ALOX5 4416/4885EPHX2 3506/4885MAPT 4607/4885

“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.