SCHEMBL10049217

SCHEMBL10049217

CC(C)N(CCN1CCN(C(=O)CNc2c(-c3ccc(F)cc3)nc3cnccn23)CC1)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.56
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 3/20 0.56
HPGD P15428 3/20 0.56
CASP1 P29466 2/20 0.56
CASP7 P55210 2/20 0.56
HSD17B10 Q99714 2/20 0.56
ALOX15 P16050 1/20 0.56
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 2/20 0.43
TUBB8 Q3ZCM7 2/20 0.43
TUBA3E Q6PEY2 2/20 0.43
TUBA1A Q71U36 2/20 0.43
TUBA1C Q9BQE3 2/20 0.43

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
SCHEMBL10048598 0.92 GAA (0.45) GAAALDH1A1KDM4EHPGDCASP1
SCHEMBL10049166 0.91 GAA (0.49) GAAALDH1A1KDM4EHPGDCASP1
SCHEMBL10048681 0.91 GAA (0.45) GAAALDH1A1KDM4EHPGDCASP1
SCHEMBL10048673 0.90 GAA (0.45) GAAALDH1A1KDM4EHPGDCASP1
SCHEMBL14963820 0.89 ALDH1A1 (0.46) GAAALDH1A1KDM4EHPGDCASP1
SCHEMBL14963688 0.87 GAA (0.41) GAAALDH1A1KDM4EHPGDCASP1
SCHEMBL14963734 0.87 GAA (0.48) GAAALDH1A1KDM4EHPGDCASP1
SCHEMBL14963793 0.86 GAA (0.66) GAAALDH1A1KDM4EHPGDCASP1
SCHEMBL14963801 0.86 KDM4E (0.59) GAAALDH1A1KDM4EHPGDCASP1
SCHEMBL10049213 0.84 ALDH1A1 (0.66) GAAALDH1A1KDM4EHPGDCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131073-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MERCK SHARP & DOHME CORP. 2013-05-23 US disclosed
US-20130131073-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MERCK SHARP & DOHME CORP. 2013-05-23 US disclosed
WO-2012018665-A1 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-20130131073-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MRPL21, ARG1, RPS4Y1 GAA 1859/4885ALDH1A1 1069/4885KDM4E 4027/4885

“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.