SCHEMBL3581546

SCHEMBL3581546

COc1c(C(C)(C)C)cc(-c2nc(C3CCN(C(=O)OCC4c5ccccc5-c5ccccc54)CC3)cs2)cc1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR119 Q8TDV5 2/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
PTK2 Q05397 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
FAAH O00519 1/20 0.33
SCN9A Q15858 1/20 0.33
CPT2 P23786 1/20 0.33
CPT1A P50416 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL3591383 0.92 ALDH1A1 (0.37) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL3587927 0.88 ALDH1A1 (0.38) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL3587938 0.86 GRIN2B (0.40) KDM4EALDH1A1HPGDHSD17B10GPR119
SCHEMBL3590006 0.85 ENPP2 (0.43) KDM4EALDH1A1HPGDFAAHCPT2
SCHEMBL14496005 0.85 L3MBTL1 (0.35) KDM4EALDH1A1HSD17B10L3MBTL1GPR119
SCHEMBL2297608 0.84 CCR5 (0.43) KDM4EALDH1A1HPGDHSD17B10SCN9A
SCHEMBL3588560 0.84 PTGS1 (0.36) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL3591327 0.84 ENPP2 (0.41) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL3590433 0.83 TRPC3 (0.40) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL3593203 0.83 CPT1A (0.44) KDM4EALDH1A1HPGDHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US 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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 KDM4E 3447/4885ALDH1A1 971/4885HPGD 984/4885

“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.