SCHEMBL23389237

SCHEMBL23389237

N[C@@H]1CCCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ ATM Q13315 1/20 0.60
▸ KCNA5 P22460 1/20 0.55
▸ HPGD P15428 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ EPHX2 P34913 8/20 0.53
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ EPHX1 P07099 1/20 0.47

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
SCHEMBL23389238 1.00 KMT2A (0.60) KMT2AMEN1ATMKCNA5HPGD
SCHEMBL23418945 0.83 KMT2A (0.75) KMT2AMEN1ATMKCNA5HPGD
SCHEMBL25991218 0.81 KMT2A (0.53) KMT2AMEN1ATMKCNA5HPGD
SCHEMBL23389103 0.81 EPHX2 (0.75) POLBEPHX2EPHX1
SCHEMBL23389101 0.81 EPHX2 (0.75) POLBEPHX2EPHX1
SCHEMBL23389106 0.80 KMT2A (0.55) KMT2AMEN1ATMKCNA5HPGD
SCHEMBL23389107 0.80 KMT2A (0.55) KMT2AMEN1ATMKCNA5HPGD
SCHEMBL23419111 0.79 KMT2A (0.52) KMT2AMEN1ATMKCNA5HPGD
SCHEMBL23389188 0.79 KMT2A (0.52) KMT2AMEN1ATMKCNA5HPGD
SCHEMBL8230021 0.76 ALDH1A1 (0.63) KMT2AATMKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250263366-A2 CASPASE 6 INHIBITORS AND USES THEREOF SHANGPHARMA INNOVATION INC. 2025-08-21 — — US disclosed
US-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF UNIV CALIFORNIA (US) 2023-06-29 — — US disclosed
US-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF UNIV CALIFORNIA (US) 2023-06-29 — — US disclosed
CN-115335039-A Caspase 6 inhibitors and uses thereof 加利福尼亚大学董事会 2022-11-11 — — CN disclosed
EP-4061341-A1 CASPASE 6 INHIBITORS AND USES THEREOF The Regents of the University of California (US) 2022-09-28 — — EP disclosed
WO-2021102361-A1 CASPASE 6 INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-27 — — WO disclosed
WO-2021102361-A1 CASPASE 6 INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-27 — — 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 (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-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF CASP6, CASP1, CASP10 KMT2A 4587/4885MEN1 4223/4885ATM 1316/4885
US-20250263366-A2 CASPASE 6 INHIBITORS AND USES THEREOF CASP6, CASP1, CASP10 KMT2A 4587/4885MEN1 4223/4885ATM 1316/4885

“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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