SCHEMBL26969122

SCHEMBL26969122

CCOC(=O)c1cc2n(n1)CCN(C(=O)O)C2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 3/20 0.43
▸ GRM5 P41594 6/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37

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
SCHEMBL3308490 0.91 GRM5 (0.43) HDAC6GRM5KMT2AGAACYP1A2
SCHEMBL27141147 0.84 NR1H2 (0.45) HDAC6KMT2AGAASMN1; SMN2MEN1
SCHEMBL3309074 0.84 CYP1A2 (0.40) HDAC6KMT2AGAACYP1A2MEN1
SCHEMBL3313601 0.83 L3MBTL1 (0.45) KMT2AGAASMN1; SMN2L3MBTL1MEN1
SCHEMBL25686948 0.83 CYP1A2 (0.39) HDAC6KMT2AGAACYP1A2ALDH1A1
SCHEMBL24812522 0.82 RAB9A (0.37) HDAC6KMT2AGAACYP1A2SMN1; SMN2
SCHEMBL2524047 0.81 HDAC6 (0.70) HDAC6GRM5KMT2AGAAL3MBTL1
SCHEMBL25412001 0.80 GRM5 (0.46) HDAC6GRM5
SCHEMBL16100677 0.79 NPC1 (0.35) HDAC6KMT2AGAACYP1A2SMN1; SMN2
SCHEMBL27137687 0.79 KMT2A (0.36) HDAC6KMT2AGAACYP1A2MEN1

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
EP-4577537-A1 SUBSTITUTED BICYCLES AS HSET INHIBITORS Merck Patent GmbH (DE) 2025-07-02 — — EP disclosed
US-20250170126-A1 NOVEL B0AT1 INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2025-05-29 — — US disclosed
WO-2024042007-A1 SUBSTITUTED BICYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2024-02-29 — — WO disclosed
US-20230416261-A1 ETHANEDIAMINE-HETEROCYCLE DERIVATIVES AS INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES UNIV TEXAS (US) 2023-12-28 — — 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 (2 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-20250170126-A1 NOVEL B0AT1 INHIBITOR BCAT1, BCAT2, BHMT HDAC6 1869/4885GRM5 1336/4885KMT2A 327/4885
US-20230416261-A1 ETHANEDIAMINE-HETEROCYCLE DERIVATIVES AS INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES PRMT1, PRMT7, PRMT5 HDAC6 1265/4885GRM5 1725/4885KMT2A 81/4885

“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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