SCHEMBL4858658

SCHEMBL4858658

CCc1ccccc1Cc1c(C)nc(C)[nH]c1=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.74
▸ GAA P10253 1/20 0.65
▸ CYP1A2 P05177 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ TSHR P16473 3/20 0.45
▸ GLA P06280 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ NR3C1 P04150 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ TNKS2 Q9H2K2 2/20 0.42
▸ PARP1 P09874 1/20 0.42
▸ MAPT P10636 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TP53 P04637 1/20 0.40

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
SCHEMBL2610116 0.81 LMNA (0.64) SMN1; SMN2GAACYP1A2ALDH1A1MEN1
SCHEMBL9025295 0.73 SMN1; SMN2 (0.55) SMN1; SMN2GAACYP1A2ALDH1A1TSHR
SCHEMBL5381325 0.71 LMNA (0.50) SMN1; SMN2GAACYP1A2ALDH1A1MEN1
SCHEMBL5377375 0.70 SMN1; SMN2 (0.56) SMN1; SMN2GAAALDH1A1MEN1KMT2A
SCHEMBL15840747 0.68 PARP1 (0.68) SMN1; SMN2GAACYP1A2ALDH1A1GLA
SCHEMBL10227136 0.68 PARP1 (0.68) SMN1; SMN2GAAALDH1A1GLATNKS2
SCHEMBL5256567 0.66 GABRA1 (0.57) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL11205375 0.66 GABRA1 (0.57) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL7147721 0.66 GAA (0.46) SMN1; SMN2GAAALDH1A1MEN1KMT2A
SCHEMBL1896796 0.66 ALDH1A1 (0.55) SMN1; SMN2CYP1A2ALDH1A1MEN1KMT2A

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 SMN1; SMN2 4397/4885GAA 144/4885CYP1A2 767/4885

“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.

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