SCHEMBL10120068

SCHEMBL10120068

Cc1ccc2nc(-c3ccc(N4CCOCC4)cc3)c(NCC(=O)N3CCN(c4c(Cl)cncc4Cl)CC3)n2c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.53
EPHX2 P34913 1/20 0.53
GAA P10253 8/20 0.51
MAPT P10636 7/20 0.51
TP53 P04637 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 4/20 0.43
NR1H4 Q96RI1 4/20 0.41
SLC2A1 P11166 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
RXFP1 Q9HBX9 2/20 0.39
SLC2A2 P11168 1/20 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
SCHEMBL15179454 0.92 ALOX5 (0.54) ALOX5EPHX2GAAMAPTTP53
SCHEMBL10120099 0.91 ALOX5 (0.43) ALOX5EPHX2GAAMAPTTP53
SCHEMBL15179316 0.91 ALOX5 (0.45) ALOX5EPHX2GAAMAPTTP53
SCHEMBL15179366 0.89 ALOX5 (0.42) ALOX5EPHX2GAAMAPTTP53
SCHEMBL15179461 0.89 SLC2A1 (0.44) ALOX5EPHX2GAAMAPTTP53
SCHEMBL10120193 0.88 GAA (0.51) ALOX5EPHX2GAAMAPTTP53
SCHEMBL10120187 0.87 ALOX5 (0.51) ALOX5GAAMAPTTP53SMN1; SMN2
SCHEMBL15179301 0.86 GAA (0.43) ALOX5GAAMAPTTP53SMN1; SMN2
SCHEMBL10120067 0.84 MAPT (0.52) ALOX5EPHX2GAAMAPTTP53
SCHEMBL10120061 0.83 GAA (0.40) ALOX5GAAMAPTTP53SMN1; SMN2

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 3506/4885GAA 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.