SCHEMBL3587927

SCHEMBL3587927

CC(C)(C)c1cc(-c2nc(C3CCN(C(=O)OCC4c5ccccc5-c5ccccc54)CC3)cs2)cc(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
TRPC3 Q13507 3/20 0.35
TRPC7 Q9HCX4 3/20 0.35
GPR119 Q8TDV5 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SCN9A Q15858 1/20 0.34
ENPP2 Q13822 2/20 0.34
CCR5 P51681 1/20 0.34
GRIN2B Q13224 1/20 0.34
AXL P30530 1/20 0.34
ACKR3 P25106 1/20 0.33
JAK1 P23458 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
SCHEMBL3587938 0.92 GRIN2B (0.40) ALDH1A1KDM4EHPGDHSD17B10TRPC3
SCHEMBL3590433 0.91 TRPC3 (0.40) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL3634136 0.91 TRPC3 (0.34) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL3591383 0.90 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL3581546 0.88 KDM4E (0.36) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL2297608 0.87 CCR5 (0.43) ALDH1A1KDM4EHPGDHSD17B10SCN9A
SCHEMBL3591327 0.87 ENPP2 (0.41) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL3586297 0.86 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10TRPC3
SCHEMBL3593203 0.86 CPT1A (0.44) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL3580394 0.85 TRPC3 (0.44) KDM4ETRPC3TRPC7ENPP2

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 ALDH1A1 971/4885KDM4E 3447/4885HPGD 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.