SCHEMBL25409587

SCHEMBL25409587

COC(=O)[C@H]1CN(C(=O)CNC(=O)/C=C/c2ccc(C(F)(F)F)cc2)CCN1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
ATM Q13315 1/20 0.47
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ACHE P22303 1/20 0.44
HDAC3 O15379 1/20 0.44
ADAM17 P78536 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
GLA P06280 2/20 0.43
GPR183 P32249 1/20 0.43
NOS3 P29474 4/20 0.42

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
SCHEMBL25412118 0.90 KMT2A (0.48) KMT2AATMDRD2DRD3ALDH1A1
SCHEMBL31597649 0.86 KMT2A (0.43) KMT2AATMDRD2DRD3ALDH1A1
SCHEMBL31260916 0.85 KMT2A (0.52) KMT2AATMDRD2DRD3ALDH1A1
SCHEMBL31260913 0.84 DRD2 (0.45) KMT2AATMDRD2DRD3ALDH1A1
SCHEMBL25410472 0.84 DRD2 (0.45) KMT2AATMDRD2DRD3ALDH1A1
SCHEMBL25413554 0.82 KMT2A (0.54) KMT2AATMDRD2DRD3ALDH1A1
SCHEMBL31260975 0.81 MMP2 (0.49) KMT2AATMDRD2DRD3ACHE
SCHEMBL25411649 0.80 KMT2A (0.54) KMT2AATMDRD2DRD3ALDH1A1
SCHEMBL30515629 0.79 KMT2A (0.57) KMT2AATMDRD2DRD3ALDH1A1
SCHEMBL31260960 0.79 KMT2A (0.42) KMT2AATMDRD2DRD3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250170126-A1 NOVEL B0AT1 INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2025-05-29 US disclosed
EP-4470533-A1 NOVEL B0AT1 INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2024-12-04 EP disclosed
WO-2023145804-A1 NOVEL B0AT1 INHIBITOR 田辺三菱製薬株式会社 2023-08-03 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 (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-20250170126-A1 NOVEL B0AT1 INHIBITOR BCAT1, BCAT2, BHMT KMT2A 327/4885ATM 2452/4885DRD2 4216/4885

“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.