SCHEMBL4859685

SCHEMBL4859685

CCc1ccc(Cc2ncc[nH]c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.41
HTR1A P08908 1/20 0.41
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
NOTUM Q6P988 1/20 0.34
PARP1 P09874 3/20 0.34
TP53 P04637 2/20 0.34
DAO P14920 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ITK Q08881 1/20 0.33
SOD1 P00441 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
SCHEMBL7618263 0.83 TAAR1 (0.58) TAAR1PARP1DAOKDM4EALDH1A1
SCHEMBL5383006 0.83 PDE3B (0.48) PDE3BPDE3ADAOALDH1A1
SCHEMBL7621859 0.81 TAAR1 (0.47) TAAR1PARP1DAOKDM4EALDH1A1
SCHEMBL9593515 0.80
SCHEMBL11290384 0.75 TAAR1 (0.67) TAAR1HTR1AALDH1A1
SCHEMBL14206716 0.73 PDE3B (0.44) TAAR1HTR1APDE3BPDE3AALDH1A1
SCHEMBL13447364 0.70 CYP1A2 (0.42) TAAR1HTR1APDE3BPDE3APARP1
SCHEMBL2538635 0.69 CYP1A2 (0.41) PDE3BPDE3A
SCHEMBL13698378 0.69
SCHEMBL3986519 0.68 PDE3B (0.45) TAAR1HTR1APDE3BPDE3ADAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439232-B2 Heteroaryl 5-thio-β-D-glucopyranoside derivatives and therapeutic agents for diabetes containing the same TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-10-21 US disclosed
US-20060194809-A1 Heteroaryl 5-thio-beta-d-gucopyranoside derivatives and therapeutic agents for diabetes containing the same TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-08-31 US disclosed
EP-1609799-A1 HETEROARYL 5-THIO-BETA-D-GLUCOPYRANOSIDE DERIVATIVES AND REMEDIES FOR DIABETES CONTAINING THE SAME TAISHO PHARMACEUTICAL CO., LTD (JP) 2005-12-28 EP 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-20060194809-A1 Heteroaryl 5-thio-beta-d-gucopyranoside derivatives and therapeutic agents for diabetes containing the same SLC5A2, SLC5A1, UGGT1 TAAR1 4269/4885HTR1A 3440/4885PDE3B 1227/4885

“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.