SCHEMBL2640070

SCHEMBL2640070

Nc1ccccc1NC(=O)C=Cc1ccc(C(CCCN2CCOCC2)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.58
HDAC2 Q92769 7/20 0.58
HDAC3 O15379 5/20 0.58
RAB9A P51151 1/20 0.46
HDAC4 P56524 3/20 0.46
MEF2D Q14814 2/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
HSP90AA1 P07900 1/20 0.44

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
SCHEMBL2640068 1.00 HDAC1 (0.58) HDAC1HDAC2HDAC3RAB9AHDAC4
SCHEMBL2638719 0.92 HDAC1 (0.49) HDAC1HDAC2HDAC3HDAC4MEF2D
SCHEMBL2638720 0.92 HDAC1 (0.49) HDAC1HDAC2HDAC3HDAC4MEF2D
SCHEMBL2638771 0.91 HDAC1 (0.48) HDAC1HDAC2HDAC3HDAC4MEF2D
SCHEMBL2638769 0.91 HDAC1 (0.48) HDAC1HDAC2HDAC3HDAC4MEF2D
SCHEMBL1965849 0.87 HDAC1 (0.62) HDAC1HDAC2HDAC3RAB9AHDAC4
SCHEMBL1972507 0.87 HDAC1 (0.62) HDAC1HDAC2HDAC3RAB9AHDAC4
SCHEMBL10039315 0.85 HDAC1 (0.76) HDAC1HDAC2HDAC3RAB9AHDAC4
SCHEMBL2639046 0.84 HDAC1 (0.47) HDAC1HDAC2HDAC3HDAC4MEF2D
SCHEMBL2639042 0.84 HDAC1 (0.47) HDAC1HDAC2HDAC3HDAC4MEF2D

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
US-8202866-B2 Ortho-aminoanilides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2012-06-19 US claimed
JP-2011526936-A 2011-10-20 JP claimed
WO-2010031708-A2 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO claimed
US-20100069328-A1 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE, INC. 2010-03-18 US claimed
US-8202866-B2 Ortho-aminoanilides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2012-06-19 US 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

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 730/4885HDAC2 1799/4885HDAC3 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.