SCHEMBL10048699

SCHEMBL10048699

O=C(CNc1c(-c2ccc(OC(F)(F)F)cc2)nc2cnccn12)N1CCN(c2ccncc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.49
KDM4E B2RXH2 7/20 0.49
CASP1 P29466 3/20 0.49
CASP7 P55210 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALOX15 P16050 1/20 0.49
MAPT P10636 5/20 0.43
BRD4 O60885 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
ALOX5 P09917 1/20 0.43
CDK9 P50750 1/20 0.42
CYP3A4 P08684 1/20 0.42
ATM Q13315 4/20 0.41
TLR9 Q9NR96 3/20 0.41
APAF1 O14727 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL14963812 0.89 ALDH1A1 (0.53) GAAKDM4ECASP1CASP7ALDH1A1
SCHEMBL14963815 0.89 ALDH1A1 (0.53) GAAKDM4ECASP1CASP7ALDH1A1
SCHEMBL14963811 0.89 MAPT (0.45) GAAKDM4ECASP1CASP7ALDH1A1
SCHEMBL14963794 0.88 GAA (0.60) GAAKDM4ECASP1CASP7ALDH1A1
SCHEMBL10048727 0.88 KDM4E (0.49) GAAKDM4ECASP1CASP7ALDH1A1
SCHEMBL10048773 0.87 ALDH1A1 (0.51) GAAKDM4ECASP1CASP7ALDH1A1
SCHEMBL14963813 0.87 KDM4E (0.48) GAAKDM4ECASP1CASP7ALDH1A1
SCHEMBL14963809 0.87 KDM4E (0.48) GAAKDM4ECASP1CASP7ALDH1A1
SCHEMBL10049161 0.87 GAA (0.52) GAAKDM4ECASP1CASP7ALDH1A1
SCHEMBL14963830 0.87 GAA (0.49) GAAKDM4ECASP1CASP7ALDH1A1

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 1859/4885KDM4E 4027/4885CASP1 505/4885

“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.