SCHEMBL10120098

SCHEMBL10120098

O=Nc1ccccc1N1CCN(C(=O)CNc2c(-c3ccc(N4CCCC4)cc3)nc3ccccn23)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
GAA P10253 6/20 0.43
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 5/20 0.43
HPGD P15428 5/20 0.43
HSD17B10 Q99714 3/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NTRK1 P04629 1/20 0.39
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37

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
SCHEMBL10120415 0.90 GAA (0.46) ALOX5GAAALDH1A1KDM4EHPGD
SCHEMBL15179288 0.89 ALOX5 (0.47) ALOX5GAAALDH1A1KDM4EHPGD
SCHEMBL10120622 0.88 GAA (0.50) ALOX5GAAALDH1A1KDM4EHPGD
SCHEMBL10120619 0.88 ALOX5 (0.46) ALOX5GAAALDH1A1KDM4EHPGD
SCHEMBL15179302 0.87 ALOX5 (0.45) ALOX5GAAALDH1A1KDM4EHPGD
SCHEMBL10120319 0.87 GAA (0.45) ALOX5GAAALDH1A1KDM4EHPGD
SCHEMBL15179389 0.86 ALOX5 (0.44) ALOX5GAAALDH1A1KDM4EHPGD
SCHEMBL10120421 0.86 MAPT (0.48) ALOX5GAAALDH1A1KDM4EHPGD
SCHEMBL10120307 0.84 ALOX5 (0.43) ALOX5GAAALDH1A1KDM4EHPGD
SCHEMBL15179462 0.83 ALOX5 (0.46) ALOX5GAAALDH1A1KDM4EHPGD

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 4 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-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 2781/4885ALDH1A1 2376/4885

“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.