SCHEMBL25587553

SCHEMBL25587553

CC(C)(C)C(=O)NCc1cc2ncccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.43
▸ ATAD2 Q6PL18 1/20 0.43
▸ PRMT5 O14744 2/20 0.43
▸ WDR77 Q9BQA1 2/20 0.43
▸ MTNR1A P48039 3/20 0.41
▸ MTNR1B P49286 3/20 0.41
▸ HRH4 Q9H3N8 1/20 0.41
▸ NR3C1 P04150 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ CACNA1B Q00975 1/20 0.38
▸ PTGES O14684 4/20 0.38
▸ HDAC6 Q9UBN7 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
SCHEMBL24016459 0.85 MTNR1A (0.56) DAOATAD2PRMT5WDR77MTNR1A
SCHEMBL30759248 0.84 BCHE (0.49) DAOATAD2PRMT5WDR77MTNR1A
SCHEMBL27144888 0.83 DAO (0.48) DAOATAD2PRMT5WDR77MTNR1A
SCHEMBL29865238 0.77 ATAD2 (0.49) DAOATAD2PRMT5WDR77MTNR1A
SCHEMBL18307631 0.73 MAPT (0.48) MAPTKDM4EPTGESHDAC6
SCHEMBL3429551 0.73 DAO (0.51) DAOATAD2PRMT5WDR77HRH4
SCHEMBL30040118 0.72 DAO (0.53) DAOATAD2PRMT5WDR77HRH4
SCHEMBL9396748 0.72 DAO (0.53) DAOATAD2PRMT5WDR77HRH4
SCHEMBL12677225 0.72 ATAD2 (0.53) DAOATAD2HRH4NR3C1MAPT
SCHEMBL10410419 0.72 DAO (0.50) DAOATAD2PRMT5WDR77HRH4

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-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 — — US disclosed
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 DAO 3654/4885ATAD2 1075/4885PRMT5 1041/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP DAO 3464/4885ATAD2 990/4885PRMT5 945/4885

“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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