SCHEMBL4975758

SCHEMBL4975758

COc1ccc2ncn(CC(=O)O)c2c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.53
PRPS1 P60891 1/20 0.47
CSNK2A2 P19784 2/20 0.44
CSNK2A1 P68400 2/20 0.44
PTGS2 P35354 2/20 0.44
ADORA2B P29275 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
PPARG P37231 1/20 0.40
CASP7 P55210 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
KDR P35968 1/20 0.40
KMT2A Q03164 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL4975796 0.80 PRPS1 (0.55) HDAC6PRPS1ADORA2BALDH1A1KDR
SCHEMBL306815 0.78 CSNK2A2 (0.44) HDAC6CSNK2A2CSNK2A1PTGS2ADORA2B
Hydrochloric Acid SCHEMBL308173 0.77 CSNK2A2 (0.43) HDAC6CSNK2A2CSNK2A1PTGS2ADORA2B
SCHEMBL308437 0.74 CSNK2A2 (0.43) HDAC6CSNK2A2CSNK2A1PTGS2ADORA2B
SCHEMBL4977884 0.74 POLB (0.57) ALDH1A1KDM4ENPSR1KMT2AMAPT
SCHEMBL306565 0.74 PTGS2 (0.48) PRPS1CSNK2A2CSNK2A1PTGS2ADORA2B
SCHEMBL4457060 0.72 HDAC6 (0.47) HDAC6CSNK2A2CSNK2A1PTGS2ADORA2B
SCHEMBL3038422 0.71 USP2 (0.46) HDAC6CSNK2A2CSNK2A1PTGS2ADORA2B
SCHEMBL307885 0.71 TRPV1 (0.53) HDAC6PRPS1CSNK2A2CSNK2A1PTGS2
SCHEMBL3042764 0.71 PTGS2 (0.48) HDAC6CSNK2A2CSNK2A1PTGS2ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015222-A1 New Heterocyclic Amides ASTRAZENECA AB (SE) 2008-01-17 US claimed
US-20080015222-A1 New Heterocyclic Amides ASTRAZENECA AB (SE) 2008-01-17 US disclosed
EP-1797067-A1 NEW HETEROCYCLIC AMIDES AstraZeneca AB (SE) 2007-06-20 EP disclosed
WO-2006033620-A1 NEW HETEROCYCLIC AMIDES ASTRAZENECA AB (SE) 2006-03-30 WO 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-20080015222-A1 New Heterocyclic Amides AADAC, AVPR2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HDAC6 10/4885PRPS1 3714/4885CSNK2A2 1386/4885

“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.