SCHEMBL10120437

SCHEMBL10120437

CC(C)N1CCCc2cc(-c3nc4cnccn4c3NCC(=O)N3CCN(c4ccccc4C#N)CC3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
GAA P10253 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 3/20 0.38
HPGD P15428 2/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
ALOX15 P16050 1/20 0.38
ATM Q13315 6/20 0.37
BRD4 O60885 2/20 0.36
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
TLR9 Q9NR96 2/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
CDK9 P50750 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL15179481 0.92 KDM4E (0.38) ALDH1A1GAAKDM4EHSD17B10HPGD
SCHEMBL15179272 0.87 GAA (0.41) ALDH1A1GAAKDM4EHSD17B10HPGD
SCHEMBL10120306 0.86 GAA (0.42) ALDH1A1GAAKDM4EHSD17B10HPGD
SCHEMBL15179336 0.85 GAA (0.46) ALDH1A1GAAKDM4EHSD17B10HPGD
SCHEMBL10120321 0.83 GAA (0.43) ALDH1A1GAAKDM4EHSD17B10HPGD
SCHEMBL15179286 0.83 GAA (0.46) ALDH1A1GAAKDM4EHSD17B10HPGD
SCHEMBL15179308 0.82 GAA (0.46) ALDH1A1GAAKDM4EHSD17B10HPGD
SCHEMBL15179483 0.81 KDM4E (0.37) ALDH1A1GAAKDM4EHSD17B10HPGD
SCHEMBL15179441 0.79 KDM4E (0.40) ALDH1A1GAAKDM4EHSD17B10HPGD
SCHEMBL15179328 0.78 KDM4E (0.41) ALDH1A1GAAKDM4EHSD17B10HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 2376/4885GAA 2781/4885KDM4E 3155/4885

“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.