SCHEMBL25587391

SCHEMBL25587391

Cn1ccc(CNC(=O)C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.50
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ CA14 Q9ULX7 1/20 0.49
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ RIPK1 Q13546 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ SMO Q99835 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MMP8 P22894 1/20 0.38
▸ DRD2 P14416 2/20 0.37
▸ OPRK1 P41145 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ PTGES O14684 1/20 0.36

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
SCHEMBL22253272 0.81 KMT2A (0.49) HDAC6MAPTPOLBKDM4ETP53
SCHEMBL23847787 0.78 SMN1; SMN2 (0.38) HDAC6SMN1; SMN2TP53OPRK1ALDH1A1
SCHEMBL20666470 0.77 ERCC1 (0.51) MAPTSMODRD2ALDH1A1
SCHEMBL20666083 0.74 ALDH1A1 (0.43) MAPTL3MBTL1ALDH1A1
SCHEMBL1516186 0.73 RIPK1 (0.71) HDAC6CA1CA2CA7CA14
SCHEMBL13794125 0.72 NR1H4 (0.52) HDAC6SMN1; SMN2ALDH1A1
SCHEMBL25590965 0.72 ALDH1A1 (0.55) HDAC6CA1CA2CA7CA14
SCHEMBL14253969 0.72 HDAC6 (0.65) HDAC6CA1CA2CA7CA14
SCHEMBL18697441 0.72 HDAC6 (0.56) HDAC6CA1CA2CA7CA14
SCHEMBL20233522 0.71 HDAC6 (0.51) HDAC6CA1CA2CA7CA14

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-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 — — US disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 — — 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-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 HDAC6 1870/4885CA1 4865/4885CA2 4471/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP HDAC6 1725/4885CA1 4847/4885CA2 4309/4885

“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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