SCHEMBL3030922

SCHEMBL3030922

CCOC(=O)c1cc2c3c(ccc2[nH]1)OCCS3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ HPGD P15428 5/20 0.46
▸ KDM4E B2RXH2 5/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ NPC1 O15118 4/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ MAPT P10636 5/20 0.43
▸ ALPL P05186 1/20 0.43
▸ MMP13 P45452 4/20 0.43
▸ MMP2 P08253 3/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ HCRTR1 O43613 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ GLA P06280 1/20 0.43

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
SCHEMBL3027564 0.82 KDM4E (0.43) ALDH1A1HPGDKDM4EHSD17B10LMNA
SCHEMBL6739125 0.73 KDM4E (0.58) RAB9AALDH1A1HPGDKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL13684586 0.73 KDM4E (0.55) RAB9AALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL13395586 0.72 ALDH1A1 (0.48) RAB9AALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL4404148 0.71 KDM4E (0.56) RAB9AALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL5780732 0.71 KDM4E (0.56) RAB9AALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL7954222 0.71 ALOX15 (0.57) RAB9AALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL5622542 0.71 KDM4E (0.56) RAB9AALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL2015917 0.70 KDM4E (0.58) RAB9AALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL4403101 0.69 ALOX15 (0.54) RAB9AALDH1A1HPGDKDM4ESMN1; SMN2

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-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 — — US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 — — US disclosed
EP-2166856-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2010-03-31 — — EP disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 — — 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 RAB9A 3524/4885ALDH1A1 348/4885HPGD 824/4885

“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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