SCHEMBL10048604

SCHEMBL10048604

Cc1cccc(N2CCN(C(=O)CNc3c(-c4ccccc4)nc4cnccn34)CC2)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
GAA P10253 6/20 0.48
ALDH1A1 P00352 6/20 0.48
HSD17B10 Q99714 3/20 0.48
HPGD P15428 2/20 0.48
CASP1 P29466 2/20 0.48
CASP7 P55210 2/20 0.48
ALOX15 P16050 2/20 0.48
MAPT P10636 6/20 0.46
NPC1 O15118 3/20 0.46
LMNA P02545 4/20 0.46
MAPK1 P28482 2/20 0.46
CDK9 P50750 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
RAB9A P51151 2/20 0.45
BRD4 O60885 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TSHR P16473 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
BRAF P15056 1/20 0.44

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
SCHEMBL10049216 0.93 GAA (0.59) KDM4EGAAALDH1A1HSD17B10HPGD
SCHEMBL10048672 0.91 GAA (0.52) KDM4EGAAALDH1A1HSD17B10HPGD
SCHEMBL10048634 0.89 GAA (0.50) KDM4EGAAALDH1A1HSD17B10HPGD
SCHEMBL14963822 0.88 GAA (0.48) KDM4EGAAALDH1A1HSD17B10HPGD
SCHEMBL14963785 0.88 GAA (0.51) KDM4EGAAALDH1A1HSD17B10HPGD
SCHEMBL14963782 0.87 GAA (0.50) KDM4EGAAALDH1A1HSD17B10HPGD
SCHEMBL17772010 0.86 GAA (0.53) KDM4EGAAALDH1A1HSD17B10HPGD
SCHEMBL14963787 0.85 NCF1 (0.51) KDM4EGAAALDH1A1HSD17B10HPGD
SCHEMBL10048697 0.85 CDK9 (0.53) KDM4EGAAALDH1A1HSD17B10HPGD
SCHEMBL10048722 0.85 PTGS2 (0.54) KDM4EGAAALDH1A1HSD17B10HPGD

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 KDM4E 4027/4885GAA 1859/4885ALDH1A1 1069/4885

“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.