SCHEMBL26508543

SCHEMBL26508543

CCOC(=O)CN1N=C(c2cccc(OC(C)=O)c2)CC1c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ SENP8 Q96LD8 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ SENP6 Q9GZR1 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ CA12 O43570 3/20 0.50
▸ CA1 P00915 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ CA9 Q16790 3/20 0.50
▸ NPC1 O15118 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ MAOA P21397 3/20 0.47
▸ KIF11 P52732 1/20 0.46

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
SCHEMBL25274761 0.86 KIF11 (0.53) KDM4EALDH1A1RAB9ACASP3SMN1; SMN2
SCHEMBL26509584 0.73 ALDH1A1 (0.48) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL16088363 0.72 MAOA (0.53) KDM4EL3MBTL1ATMCA12CA1
SCHEMBL25232022 0.71 HTT (0.56) KDM4EALDH1A1SMN1; SMN2L3MBTL1MEN1
SCHEMBL5058846 0.71 L3MBTL1 (0.59) KDM4EALDH1A1SMN1; SMN2L3MBTL1MAOA
SCHEMBL26508522 0.69 SMN1; SMN2 (0.45) KDM4EALDH1A1RAB9ACASP3SMN1; SMN2
SCHEMBL4446422 0.66 MAPT (0.67) ALDH1A1ACHEGAA
SCHEMBL9626269 0.65 PDE5A (0.71) KDM4EALDH1A1RAB9AL3MBTL1MEN1
SCHEMBL27736999 0.65 RXRA (0.50) ALDH1A1SMN1; SMN2
SCHEMBL28736341 0.65 MAOA (0.61) CA12CA1CA2CA9MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322816-A1 PYRAZOLE BORONIC ACID COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USES THEREOF BEIJING SONGRUN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-10-12 — — US disclosed
US-20230322816-A1 PYRAZOLE BORONIC ACID COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USES THEREOF BEIJING SONGRUN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-10-12 — — 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-20230322816-A1 PYRAZOLE BORONIC ACID COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USES THEREOF PSMB11, PSMB7, PSMC5 KDM4E 2668/4885ALDH1A1 2816/4885RAB9A 1470/4885

“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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