SCHEMBL3226203

SCHEMBL3226203

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)C=Cc1ccc(C(CCCCl)C(=O)Nc2ccc(Br)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
HDAC3 O15379 9/20 0.41
HDAC1 Q13547 9/20 0.41
HDAC8 Q9BY41 8/20 0.41
HDAC6 Q9UBN7 7/20 0.41
HDAC2 Q92769 6/20 0.41
HDAC4 P56524 6/20 0.41
HDAC7 Q8WUI4 5/20 0.41
HDAC10 Q969S8 5/20 0.41
HDAC11 Q96DB2 5/20 0.41
HDAC9 Q9UKV0 5/20 0.41
HDAC5 Q9UQL6 5/20 0.41
EGFR P00533 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP2 P08253 1/20 0.37
LMNA P02545 1/20 0.37
TRPV1 Q8NER1 2/20 0.37

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
SCHEMBL3226190 1.00 TRPA1 (0.41) TRPA1TRPM8HDAC3HDAC1HDAC8
SCHEMBL9976633 0.93 TRPV1 (0.43) HDAC3HDAC1HDAC8HDAC6HDAC2
SCHEMBL10068875 0.93 TRPA1 (0.42) TRPA1TRPM8HDAC3HDAC1HDAC8
SCHEMBL1972856 0.91 TRPA1 (0.43) TRPA1TRPM8HDAC3HDAC1HDAC8
SCHEMBL1972858 0.91 TRPA1 (0.43) TRPA1TRPM8HDAC3HDAC1HDAC8
SCHEMBL1972403 0.86 TRPA1 (0.39) TRPA1TRPM8HDAC3HDAC1HDAC8
SCHEMBL1972405 0.86 TRPA1 (0.39) TRPA1TRPM8HDAC3HDAC1HDAC8
SCHEMBL9976632 0.86 EGFR (0.43) TRPA1TRPM8HDAC3HDAC1HDAC8
SCHEMBL3230962 0.86 TRPA1 (0.39) TRPA1TRPM8HDAC3HDAC1HDAC8
SCHEMBL1968499 0.86 TRPA1 (0.39) TRPA1TRPM8HDAC3HDAC1HDAC8

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-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

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 TRPA1 3397/4885TRPM8 4447/4885HDAC3 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.