SCHEMBL25412010

SCHEMBL25412010

CN1CCN(C(=O)CNC(=O)/C=C/c2ccc(C(F)(F)F)cc2)[C@H](C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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 0.44
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
ACHE P22303 1/20 0.40
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL25411743 1.00 HDAC3 (0.44) HDAC3ADAM17HDAC1HDAC2HDAC10
SCHEMBL25410472 0.90 DRD2 (0.45) HDAC3ADAM17HDAC1HDAC2HDAC10
SCHEMBL31260913 0.90 DRD2 (0.45) HDAC3ADAM17HDAC1HDAC2HDAC10
SCHEMBL25414107 0.90 HDAC3 (0.43) HDAC3ADAM17HDAC1HDAC2HDAC10
SCHEMBL25412444 0.90 KMT2A (0.48) HDAC3ADAM17HDAC1HDAC2HDAC10
SCHEMBL25413408 0.88 HDAC3 (0.46) HDAC3ADAM17HDAC1HDAC2HDAC10
SCHEMBL25412118 0.83 KMT2A (0.48) HDAC3ADAM17HDAC1HDAC2HDAC10
SCHEMBL25413027 0.82 GLA (0.48) HDAC3ADAM17HDAC1HDAC2HDAC10
SCHEMBL25413554 0.81 KMT2A (0.54) HDAC3ADAM17HDAC1HDAC2HDAC10
SCHEMBL25412650 0.79 GLA (0.41) HDAC3ADAM17HDAC1HDAC2HDAC10

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 HDAC3 3217/4885ADAM17 4099/4885HDAC1 3172/4885

“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.