SCHEMBL22864979

SCHEMBL22864979

COc1ccc(CSc2ccc3ncsc3c2)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ GSK3B P49841 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ APLNR P35414 1/20 0.40
▸ PFKFB3 Q16875 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MAOB P27338 1/20 0.39
▸ FKBP1A P62942 1/20 0.38
▸ FKBP5 Q13451 1/20 0.38
▸ QPCT Q16769 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP1A1 P04798 3/20 0.36
▸ CYP1A2 P05177 3/20 0.36

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
SCHEMBL29661780 1.00 MEN1 (0.41) MEN1KMT2ANPC1RAB9AGSK3B
SCHEMBL29703392 0.82 APLNR (0.39) ALDH1A1KDM4EAPLNRMAOBCYP1A2
SCHEMBL22865430 0.82 APLNR (0.39) ALDH1A1KDM4EAPLNRMAOBCYP1A2
SCHEMBL23133 0.76 NPC1 (0.57) MEN1KMT2ANPC1RAB9AALDH1A1
Bromide SCHEMBL1193036 0.74 NPC1 (0.56) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL9016292 0.69 TAS1R3 (0.43) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL10384501 0.69 RAB9A (0.44) MEN1KMT2ANPC1RAB9AGSK3B
SCHEMBL28029839 0.68 APLNR (0.61) ALDH1A1APLNRCYP1A1CYP1A2CYP1B1
SCHEMBL29992983 0.68 NPC1 (0.56) MEN1KMT2ANPC1RAB9AALDH1A1
Toluene SCHEMBL11239856 0.67 ALDH1A1 (0.49) MEN1KMT2ANPC1RAB9AALDH1A1

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-20230014870-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2023-01-19 — — US disclosed
CN-114555620-A Novel galactoside inhibitors of galectins 格莱克特生物技术公司 2022-05-27 — — CN disclosed
WO-2021001528-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (SE) 2021-01-07 — — 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-20230014870-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS LGALS1, LGALS3, LGALS2 MEN1 2935/4885KMT2A 4762/4885NPC1 2659/4885

“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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