SCHEMBL29799894

SCHEMBL29799894

CCNC(=O)c1c(N(Cc2ccccc2)C(C)=O)sc2cc(O)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 7/20 0.41
▸ TSPO P30536 2/20 0.39
▸ MAOB P27338 3/20 0.38
▸ MAPT P10636 2/20 0.37
▸ SNCA P37840 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.36
▸ HDAC3 O15379 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ NCOR2 Q9Y618 2/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ LTB4R2 Q9NPC1 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL24683240 1.00 PDK1 (0.41) PDK1TSPOMAOBMAPTSNCA
SCHEMBL24683897 0.92 MAOB (0.40) PDK1TSPOMAOBMAPTSNCA
SCHEMBL29800148 0.92 MAOB (0.40) PDK1TSPOMAOBMAPTSNCA
SCHEMBL29799815 0.89 PDK1 (0.45) PDK1TSPOMAOBMAPTSNCA
SCHEMBL24682202 0.89 PDK1 (0.45) PDK1TSPOMAOBMAPTSNCA
SCHEMBL24682174 0.87 TSPO (0.44) PDK1TSPOLTB4R2ESR1ESR2
SCHEMBL29799804 0.87 TSPO (0.44) PDK1TSPOLTB4R2ESR1ESR2
SCHEMBL24682178 0.85 MAPT (0.43) PDK1TSPOMAPTTRPV1LMNA
SCHEMBL29800041 0.85 MAPT (0.43) PDK1TSPOMAPTTRPV1LMNA
SCHEMBL24682194 0.85 TSPO (0.42) PDK1TSPOMAPTRAB9AESR1

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-20240174629-A1 2-ACETAMIDO-6-HYDROXY-BENZOTHIOPHENE DERIVATIVES WITH ANTIVIRAL ACTIVITY OTCPHARM JSC (RU) 2024-05-30 — — US disclosed
EP-4293017-A1 2-ACETAMIDO-6-HYDROXY-BENZOTHIOPHENE DERIVATIVES WITH ANTIVIRAL ACTIVITY Otcpharm JSC (RU) 2023-12-20 — — EP disclosed
CN-117222630-A 2-acetamido-6-hydroxy-benzothiophene derivatives having antiviral activity OTC制药公司(JSC) 2023-12-12 — — CN disclosed
WO-2022173329-A1 2-ACETAMIDO-6-HYDROXY-BENZOTHIOPHENE DERIVATIVES WITH ANTIVIRAL ACTIVITY Акционерное общество "Отисифарм" 2022-08-18 — — 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-20240174629-A1 2-ACETAMIDO-6-HYDROXY-BENZOTHIOPHENE DERIVATIVES WITH ANTIVIRAL ACTIVITY ACE2, ACE, EIF2AK2 PDK1 1882/4885TSPO 4234/4885MAOB 707/4885

“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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