SCHEMBL3225727

SCHEMBL3225727

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)/C=C/c1ccc(C(CCN2C[C@@H]3C[C@H]2CO3)C(=O)Nc2ccc(Br)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 2/20 0.37
▸ CDK8 P49336 2/20 0.37
▸ HDAC3 O15379 7/20 0.36
▸ HDAC1 Q13547 7/20 0.36
▸ HDAC2 Q92769 7/20 0.36
▸ TRPA1 O75762 1/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ HDAC8 Q9BY41 3/20 0.34
▸ HDAC6 Q9UBN7 3/20 0.34
▸ HDAC4 P56524 4/20 0.34
▸ HDAC10 Q969S8 4/20 0.34
▸ HDAC11 Q96DB2 4/20 0.34
▸ HDAC9 Q9UKV0 4/20 0.34
▸ HDAC5 Q9UQL6 4/20 0.34
▸ HDAC7 Q8WUI4 2/20 0.34
▸ CYP1A2 P05177 3/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ CYP2D6 P10635 3/20 0.33
▸ CYP2C9 P11712 3/20 0.33
▸ CYP2C19 P33261 3/20 0.33

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
SCHEMBL3225738 1.00 CCNC (0.37) CCNCCDK8HDAC3HDAC1HDAC2
SCHEMBL3226812 0.87 HDAC1 (0.45) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3226817 0.87 HDAC1 (0.45) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3226805 0.87 HDAC1 (0.45) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3234953 0.87 CCNC (0.37) CCNCCDK8HDAC3HDAC1HDAC2
SCHEMBL3234967 0.87 CCNC (0.37) CCNCCDK8HDAC3HDAC1HDAC2
SCHEMBL10069093 0.83 HDAC1 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL1972856 0.82 TRPA1 (0.43) CDK8HDAC3HDAC1HDAC2TRPA1
SCHEMBL1972858 0.82 TRPA1 (0.43) CDK8HDAC3HDAC1HDAC2TRPA1
SCHEMBL10068875 0.81 TRPA1 (0.42) HDAC3HDAC1HDAC2TRPA1TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202866-B2 Ortho-aminoanilides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2012-06-19 — — US disclosed
US-8202866-B2 Ortho-aminoanilides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2012-06-19 — — US disclosed
US-8202866-B2 Ortho-aminoanilides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2012-06-19 — — US disclosed
US-20100069328-A1 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE, INC. 2010-03-18 — — US disclosed
US-20100069328-A1 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE, INC. 2010-03-18 — — US disclosed
US-20100069328-A1 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE, INC. 2010-03-18 — — 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-20100069328-A1 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER IL4I1, MKI67, ABL1 CCNC 92/4885CDK8 905/4885HDAC3 1722/4885

“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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