SCHEMBL3588834

SCHEMBL3588834

COc1c(C(C)(C)C)cc(-c2nc(C3CCN(C(=O)Cn4c(C)cn(C)c4=O)CC3)cs2)cc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.35
GRIN2B Q13224 6/20 0.35
LMNA P02545 1/20 0.34
ALDH1A1 P00352 3/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
CPT1A P50416 3/20 0.32
CPT2 P23786 2/20 0.32
KDM4E B2RXH2 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CPT1B Q92523 1/20 0.31
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ADORA2A P29274 1/20 0.30

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
SCHEMBL3595199 0.91 GRIN1 (0.34) GRIN1GRIN2BLMNAALDH1A1GABRA1
SCHEMBL3585326 0.87 KDM4E (0.32) GRIN1GRIN2BGABRA1GABRG2GABRB3
SCHEMBL3581098 0.86 CPT1A (0.33) GRIN1GRIN2BLMNAALDH1A1GABRA1
SCHEMBL3583234 0.85 CPT1A (0.35) GRIN1GRIN2BLMNAIRAK4CPT1A
SCHEMBL13031169 0.85 GRIN1 (0.38) GRIN1GRIN2BLMNAALDH1A1GAA
SCHEMBL3586267 0.84 CXCR3 (0.42) GRIN1GRIN2BLMNAALDH1A1
SCHEMBL3588152 0.84 CXCR3 (0.38) LMNAALDH1A1GAAIRAK4CPT1A
SCHEMBL3581627 0.84 IRAK4 (0.33) GRIN1GRIN2BLMNAGABRA1GABRG2
SCHEMBL3580754 0.84 GABRA1 (0.34) GRIN1GRIN2BLMNAALDH1A1GABRA1
SCHEMBL3592264 0.83 CPT1A (0.33) GRIN1GRIN2BLMNAALDH1A1GABRA1

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 2 patents. 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 claimed
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 GRIN1 571/4885GRIN2B 584/4885LMNA 4877/4885

“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.