SCHEMBL3583534

SCHEMBL3583534

O=C(OCC1c2ccccc2-c2ccccc21)N1CCC(c2csc(-c3cccc(Br)c3)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
EIF4E P06730 1/20 0.38
SHMT1 P34896 2/20 0.38
SHMT2 P34897 2/20 0.38
TLR7 Q9NYK1 1/20 0.38
CPT2 P23786 2/20 0.37
CPT1A P50416 2/20 0.37
CPT1B Q92523 2/20 0.37
SCN9A Q15858 1/20 0.36
CCR5 P51681 1/20 0.36
MDM2 Q00987 1/20 0.34
GAA P10253 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL3587524 0.90 MDM2 (0.39) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL2297608 0.90 CCR5 (0.43) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL3588590 0.90 L3MBTL1 (0.43) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL3586297 0.87 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10EIF4E
SCHEMBL3593203 0.86 CPT1A (0.44) ALDH1A1KDM4EHPGDHSD17B10CPT2
SCHEMBL3591327 0.86 ENPP2 (0.41) ALDH1A1KDM4EHPGDHSD17B10TLR7
SCHEMBL3587433 0.85 TRPC3 (0.44) SCN9ANPSR1
SCHEMBL3590433 0.83 TRPC3 (0.40) ALDH1A1KDM4EHPGDHSD17B10EIF4E
SCHEMBL3587927 0.83 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10SCN9A
SCHEMBL3590006 0.83 ENPP2 (0.43) ALDH1A1SMN1; SMN2KDM4EHPGDCPT2

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 disclosed
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 971/4885SMN1; SMN2 4711/4885KDM4E 3447/4885

“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.