SCHEMBL23776379

SCHEMBL23776379

Cc1cc(NC(=O)CCC2CC(=O)C2)c(N)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ LDLR P01130 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ MAPT P10636 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ NPSR1 Q6W5P4 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
SCHEMBL9104109 0.82 HDAC1 (0.37) GAANPC1PKMHTTSMN1; SMN2
SCHEMBL16129058 0.75 HDAC3 (0.41) GAANPC1PKMHTTSMN1; SMN2
SCHEMBL27597105 0.72 CD44 (0.52) NPC1SMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL5558047 0.67 CD44 (0.42) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL27597171 0.66 CD44 (0.52) NPC1SMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL29580720 0.65 ALDH1A1 (0.56) GAANPC1PKMHTTSMN1; SMN2
SCHEMBL24335864 0.65 ALDH1A1 (0.56) GAANPC1PKMHTTSMN1; SMN2
SCHEMBL20152234 0.64 NPC1 (0.41) GAANPC1PKMHTTSMN1; SMN2
SCHEMBL12218170 0.63 GAA (0.64) GAANPC1PKMHTTSMN1; SMN2
SCHEMBL19927448 0.62 POLB (0.56) GAAPKMHTTALDH1A1POLB

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-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. 2021-08-19 — — 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-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 GAA 2247/4885NPC1 1157/4885PKM 2430/4885

“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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