SCHEMBL4852032

SCHEMBL4852032

CCc1ccc(Cc2ccncc2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KEAP1 Q14145 1/20 0.39
TRPA1 O75762 1/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
CYP17A1 P05093 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
KMT2A Q03164 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
AOC1 P19801 1/20 0.36
AOC3 Q16853 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL4852017 0.98 RAB9A (0.39) RAB9AALDH1A1NPSR1KEAP1TRPA1
SCHEMBL4859869 0.86 RAB9A (0.40) RAB9AALDH1A1NPSR1KEAP1TRPA1
SCHEMBL5373105 0.82 MAPT (0.50) RAB9AALDH1A1NPSR1NPC1SMN1; SMN2
SCHEMBL4849854 0.81 BCL2 (0.53) KEAP1CYP3A4CYP11B1CYP11B2KMT2A
SCHEMBL10034492 0.81 CYP11B1 (0.38) KEAP1CYP17A1CYP3A4CYP19A1CYP11B1
SCHEMBL13625817 0.81
SCHEMBL4859831 0.80 LOXL2 (0.47) ALDH1A1CYP3A4POLB
SCHEMBL4859648 0.77 KDM4C (0.45) KEAP1CYP3A4
SCHEMBL4849875 0.73 SMN1; SMN2 (0.50) RAB9AALDH1A1NPSR1NPC1SMN1; SMN2
SCHEMBL1539188 0.73 KEAP1 (0.70) KEAP1TRPA1CYP3A4KMT2A

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 RAB9A 1882/4885ALDH1A1 815/4885NPSR1 4384/4885

“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.