SCHEMBL3585680

SCHEMBL3585680

Cc1c(CO)ncn1CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.46
CSNK2A1 P68400 2/20 0.46
PTGS2 P35354 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
LMNA P02545 2/20 0.42
ADORA2B P29275 1/20 0.42
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.35
KCNH2 Q12809 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
SCHEMBL3584041 0.83 SMN1; SMN2 (0.47) ALDH1A1KDM4EPOLBMAPTGAA
SCHEMBL13031346 0.82 CSNK2A2 (0.41) CSNK2A2CSNK2A1PTGS2HDAC6LMNA
SCHEMBL8498289 0.78 HDAC6 (0.40) HDAC6ALDH1A1KDM4EPOLB
SCHEMBL859472 0.77 ALDH1A1 (0.35) ALDH1A1KDM4E
SCHEMBL8008229 0.76 ALDH1A1 (0.34) ALDH1A1KDM4E
SCHEMBL3579547 0.75 CSNK2A2 (0.42) CSNK2A2CSNK2A1PTGS2HDAC6LMNA
SCHEMBL5655389 0.74 ADORA2A (0.38) LMNAADORA2BALDH1A1KDM4EKCNH2
SCHEMBL8830053 0.72 CYP11B1 (0.47) LMNAADORA2BKDM4EGAA
SCHEMBL8768509 0.71 PTGS2 (0.42) CSNK2A2CSNK2A1PTGS2HDAC6LMNA
SCHEMBL11386846 0.70 ALDH1A1 (0.33) ALDH1A1KDM4E

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 CSNK2A2 2070/4885CSNK2A1 2036/4885PTGS2 311/4885

“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.