SCHEMBL25587412

SCHEMBL25587412

COc1c(CNC(=O)C(C)(C)C)c(C)cn1C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ DRD4 P21917 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ TP53 P04637 2/20 0.34
▸ DRD2 P14416 3/20 0.34
▸ MTNR1A P48039 3/20 0.33
▸ MTNR1B P49286 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL17789058 0.75 SHMT2 (0.40) MAPTHDAC6KDM4ETP53L3MBTL1
SCHEMBL17789027 0.72 ALDH1A1 (0.37) MAPTHDAC6CA1CA2CA7
SCHEMBL25587413 0.72 ALDH1A1 (0.41) MAPTHDAC6CA1CA2CA7
SCHEMBL17789047 0.70 SHMT2 (0.40) MAPTHDAC6DRD4KDM4ETP53
SCHEMBL17789063 0.70 NPC1 (0.39) MAPTKDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL17297836 0.68 ALDH1A1 (0.43) MAPTHDAC6CA1CA2CA7
SCHEMBL25591020 0.67 SMN1; SMN2 (0.40) MAPTHDAC6CA1CA2CA7
SCHEMBL17789066 0.66 DRD4 (0.37) MAPTDRD4TP53DRD2
SCHEMBL16133663 0.66 BRD4 (0.40) MAPT
SCHEMBL16133676 0.66 MAPT (0.41) MAPTHDAC6CA1CA2CA7

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 MAPT 2472/4885HDAC6 1870/4885CA1 4865/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP MAPT 2572/4885HDAC6 1725/4885CA1 4847/4885

“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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