SCHEMBL1966406

SCHEMBL1966406

Nc1ccccc1NC(=O)/C=C/c1ccc(C(CCCN2CCCCC2)C(=O)Nc2ccc(Br)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.52
HDAC3 O15379 7/20 0.52
HDAC2 Q92769 6/20 0.52
HDAC4 P56524 5/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC9 Q9UKV0 3/20 0.46
HDAC5 Q9UQL6 3/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CYP1A2 P05177 4/20 0.45
CYP3A4 P08684 4/20 0.45
CYP2D6 P10635 4/20 0.45
CYP2C9 P11712 4/20 0.45
CYP2C19 P33261 4/20 0.45
KCNH2 Q12809 3/20 0.45
MEF2D Q14814 2/20 0.45
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42

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
SCHEMBL1966578 0.99 HDAC1 (0.52) HDAC1HDAC3HDAC2HDAC4HDAC10
SCHEMBL1965849 0.92 HDAC1 (0.62) HDAC1HDAC3HDAC2HDAC4HDAC10
SCHEMBL10039319 0.91 HDAC1 (0.50) HDAC1HDAC3HDAC2HDAC4HDAC10
SCHEMBL1965923 0.91 HDAC1 (0.47) HDAC1HDAC3HDAC2HDAC4HDAC10
SCHEMBL10039316 0.90 HDAC1 (0.65) HDAC1HDAC3HDAC2HDAC4HDAC10
SCHEMBL10039317 0.89 HDAC1 (0.48) HDAC1HDAC3HDAC2HDAC4HDAC10
SCHEMBL1967890 0.89 HDAC1 (0.66) HDAC1HDAC3HDAC2HDAC4HDAC10
SCHEMBL1964921 0.87 HDAC1 (0.63) HDAC1HDAC3HDAC2HDAC4HDAC10
SCHEMBL1964918 0.87 HDAC1 (0.63) HDAC1HDAC3HDAC2HDAC4HDAC10
SCHEMBL2638769 0.86 HDAC1 (0.48) HDAC1HDAC3HDAC2HDAC4HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334658-A2 ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2011-06-22 EP claimed
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
EP-2334658-A2 ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2011-06-22 EP disclosed
WO-2010031708-A2 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO 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 HDAC1 730/4885HDAC3 1722/4885HDAC2 1799/4885

“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.