SCHEMBL10120187

SCHEMBL10120187

O=C(CNc1c(-c2ccc(N3CCOCC3)cc2)nc2ccccn12)N1CCN(c2c(Cl)cncc2Cl)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.51
GAA P10253 11/20 0.49
MAPT P10636 8/20 0.49
TP53 P04637 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 6/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RXFP1 Q9HBX9 2/20 0.42
SLC2A1 P11166 1/20 0.41
IGF1R P08069 2/20 0.40
KCNH2 Q12809 2/20 0.40
SLC2A2 P11168 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL10120425 0.94 ALOX5 (0.45) ALOX5GAAMAPTTP53SMN1; SMN2
SCHEMBL15179409 0.91 CNR2 (0.42) ALOX5GAAMAPTTP53SMN1; SMN2
SCHEMBL15179301 0.90 GAA (0.43) ALOX5GAAMAPTTP53SMN1; SMN2
SCHEMBL15179454 0.89 ALOX5 (0.54) ALOX5GAAMAPTTP53SMN1; SMN2
SCHEMBL10120193 0.88 GAA (0.51) ALOX5GAAMAPTTP53SMN1; SMN2
SCHEMBL15179316 0.87 ALOX5 (0.45) ALOX5GAAMAPTTP53SMN1; SMN2
SCHEMBL10120068 0.87 ALOX5 (0.53) ALOX5GAAMAPTTP53SMN1; SMN2
SCHEMBL10120063 0.87 MAPT (0.42) ALOX5GAAMAPTTP53SMN1; SMN2
SCHEMBL15179462 0.87 ALOX5 (0.46) ALOX5GAAMAPTTP53SMN1; SMN2
SCHEMBL15179304 0.86 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 4416/4885GAA 2781/4885MAPT 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.