SCHEMBL29773347

SCHEMBL29773347

CC(C)(C)OC(=O)NCc1cccc(-c2ccc(=O)[nH]n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.50
▸ CREBBP Q92793 1/20 0.50
▸ MAPT P10636 1/20 0.47
▸ GLS O94925 3/20 0.46
▸ PARP1 P09874 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ CYP1A2 P05177 3/20 0.42
▸ GFER P55789 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ ACACB O00763 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ACACA Q13085 1/20 0.42
▸ CCKBR P32239 1/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ PDE4A P27815 1/20 0.41

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
SCHEMBL4896439 1.00 BRD4 (0.50) BRD4CREBBPMAPTGLSPARP1
SCHEMBL21904878 0.82 CYP1A2 (0.53) MAPTCYP1A2CYP2C9PDE4APDE4B
SCHEMBL29773322 0.82 BRD4 (0.52) BRD4CREBBPGLSPARP1L3MBTL1
SCHEMBL30504293 0.80 HDAC1 (0.56) BRD4CREBBPGLSCTSBCTSS
SCHEMBL3847043 0.80 BRD4 (0.47) BRD4CREBBPGLSL3MBTL1CYP1A2
SCHEMBL4402738 0.79 BRD4 (0.49) BRD4CREBBPGLSL3MBTL1CYP1A2
SCHEMBL31755970 0.79 BRD4 (0.49) BRD4CREBBPGLSL3MBTL1CYP1A2
SCHEMBL24000658 0.79 PARP1 (0.53) BRD4CREBBPGLSPARP1CYP1A2
SCHEMBL29773324 0.79 BRD4 (0.49) BRD4CREBBPGLSL3MBTL1CYP1A2
SCHEMBL31457047 0.78 ROCK2 (0.53) BRD4CREBBPACACBACACA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213122-A1 SUBSTITUTED 1,6-DIHYDROPYRIDINONES AND 1,2-DIHYDROISOQUINOLINONES AS BET INHIBITORS NUVATION BIO INC (US) 2022-07-07 — — 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 (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-20220213122-A1 SUBSTITUTED 1,6-DIHYDROPYRIDINONES AND 1,2-DIHYDROISOQUINOLINONES AS BET INHIBITORS BET1, BRD4, BRD3 BRD4 2/4885CREBBP 49/4885MAPT 1234/4885

“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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