SCHEMBL25384693

SCHEMBL25384693

O=C1N[C@@H](Cc2ccc(Cl)cc2)C(=O)N2CCCC[C@@H]12

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 6/20 0.57
HDAC1 Q13547 5/20 0.57
SMN1; SMN2 Q16637 1/20 0.52
HDAC6 Q9UBN7 3/20 0.50
HDAC3 O15379 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
F2 P00734 4/20 0.47
MEN1 O00255 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
SCHEMBL24614230 0.90 HDAC4 (0.64) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL30423206 0.87 HDAC1 (0.57) HDAC4HDAC1SMN1; SMN2HDAC6HDAC3
SCHEMBL30540151 0.87 HDAC4 (0.72) HDAC4HDAC1SMN1; SMN2HDAC6HDAC3
SCHEMBL17866901 0.83 HDAC4 (0.58) HDAC4HDAC1SMN1; SMN2HDAC6HDAC3
SCHEMBL12035399 0.83 HDAC4 (0.58) HDAC4HDAC1SMN1; SMN2HDAC6HDAC3
SCHEMBL4320872 0.83 HDAC4 (0.58) HDAC4HDAC1SMN1; SMN2HDAC6HDAC3
SCHEMBL4320879 0.83 HDAC4 (0.58) HDAC4HDAC1SMN1; SMN2HDAC6HDAC3
SCHEMBL12035396 0.83 HDAC4 (0.58) HDAC4HDAC1SMN1; SMN2HDAC6HDAC3
SCHEMBL22286471 0.83 HDAC4 (0.58) HDAC4HDAC1SMN1; SMN2HDAC6HDAC3
SCHEMBL12035758 0.83 HDAC4 (0.58) HDAC4HDAC1SMN1; SMN2HDAC6HDAC3

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
US-12325701-B2 YKL-40 inhibitors and their therapeutic MOLECURE S.A. (PL) 2025-06-10 US disclosed
US-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-09-07 US disclosed
US-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-09-07 US disclosed
US-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-09-07 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-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS CHI3L1, CHI3L2, CHIA HDAC4 855/4885HDAC1 604/4885SMN1; SMN2 4587/4885
US-12325701-B2 YKL-40 inhibitors and their therapeutic CHI3L1, CHI3L2, CHIA HDAC4 851/4885HDAC1 627/4885SMN1; SMN2 4574/4885

“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.