SCHEMBL31744579

SCHEMBL31744579

COc1cccc(OC)c1NCc1coc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 5/20 0.49
▸ CA2 P00918 2/20 0.48
▸ MAOB P27338 4/20 0.46
▸ MAOA P21397 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ KDM4C Q9H3R0 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ACHE P22303 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.40
▸ PSMB8 P28062 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA9 Q16790 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
SCHEMBL30787479 0.77 MAOB (0.60) PSMB5CA2MAOBMAOAALDH1A1
SCHEMBL30956090 0.77 MAOB (0.59) PSMB5CA2MAOBMAOAALDH1A1
SCHEMBL30956084 0.72 PSMB5 (0.46) PSMB5CA2MAOBALDH1A1MAPT
SCHEMBL9634215 0.72 CA2 (0.60) PSMB5CA2MAOBMAOAKDM4C
SCHEMBL28902179 0.72 MAOB (0.64) CA2MAOBMAOANPC1MAPT
SCHEMBL6408649 0.71 MAOB (0.50) CA2MAOBMAOAALDH1A1NPC1
SCHEMBL30956075 0.71 MAOB (0.52) PSMB5CA2MAOBMAOAALDH1A1
SCHEMBL30956076 0.71 MAOB (0.60) CA2MAOBMAOAALDH1A1KDM4C
SCHEMBL30956083 0.71 MAOB (0.80) CA2MAOBMAOAALDH1A1KDM4C
SCHEMBL30003353 0.70 LMNA (0.52) PSMB5CA2MAOBMAOAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250382302-A1 Anticancer polyheterocyclic compounds and associated methods UNIV OF DENVER (US) 2025-12-18 — — US 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-20250382302-A1 Anticancer polyheterocyclic compounds and associated methods HCCS, POLI, PARP1 PSMB5 1163/4885CA2 4075/4885MAOB 2898/4885

“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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