SCHEMBL6544947

SCHEMBL6544947

CC(=O)Nc1c(C)c[c]cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.44
▸ HPGD P15428 2/20 0.44
▸ PTPRB P23467 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.42
▸ TDP1 Q9NUW8 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ PKM P14618 2/20 0.40
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NAPRT Q6XQN6 1/20 0.37
▸ CYP1A2 P05177 3/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ BRD4 O60885 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
SCHEMBL4814125 0.86 LMNA (0.38) HSD17B10HPGDPTPRBALDH1A1TDP1
SCHEMBL4814991 0.76 MAPT (0.38) HSD17B10ALDH1A1TDP1GAAPKM
SCHEMBL7620537 0.74 HPGD (0.55) HSD17B10HPGDPTPRBALDH1A1TDP1
SCHEMBL436967 0.74 ALDH1A1 (0.59) HSD17B10HPGDALDH1A1GAAPKM
SCHEMBL2902943 0.74 ALDH1A1 (0.63) HSD17B10HPGDPTPRBALDH1A1TDP1
SCHEMBL9168588 0.73 ALDH1A1 (0.57) HSD17B10HPGDALDH1A1GAAPKM
SCHEMBL20857699 0.73 LMNA (0.56) HSD17B10HPGDPTPRBALDH1A1TDP1
SCHEMBL6543583 0.72 ALDH1A1 (0.47) HSD17B10ALDH1A1TDP1GAAPKM
SCHEMBL22430520 0.71 HPGD (0.51) HSD17B10HPGDPTPRBALDH1A1TDP1
SCHEMBL22430515 0.71 HSD17B10 (0.51) HSD17B10HPGDPTPRBALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014121036-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 — — WO disclosed
US-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 — — US disclosed
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 — — EP disclosed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 — — US disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 — — 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-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SRD5A2, PPARD, SRD5A1 HSD17B10 117/4885HPGD 286/4885PTPRB 2733/4885

“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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