SCHEMBL2074828

SCHEMBL2074828

Nc1ccccc1NC(=O)c1ccc(-c2ccccn2)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.65
HDAC2 Q92769 8/20 0.65
HDAC3 O15379 7/20 0.65
MAPK1 P28482 1/20 0.65
HDAC4 P56524 4/20 0.63
HDAC7 Q8WUI4 4/20 0.63
HDAC10 Q969S8 4/20 0.63
HDAC11 Q96DB2 4/20 0.63
HDAC8 Q9BY41 4/20 0.63
HDAC6 Q9UBN7 4/20 0.63
HDAC9 Q9UKV0 4/20 0.63
HDAC5 Q9UQL6 4/20 0.63
NCOR2 Q9Y618 1/20 0.58
TRPV1 Q8NER1 2/20 0.57
PTGS1 P23219 1/20 0.56

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
SCHEMBL14082204 0.84 TRPV1 (0.59) HDAC1HDAC2TRPV1
SCHEMBL1060598 0.83 HDAC1 (0.79) HDAC1HDAC2HDAC3MAPK1HDAC4
SCHEMBL12841849 0.83 HDAC1 (0.76) HDAC1HDAC2HDAC3MAPK1HDAC4
SCHEMBL14082273 0.83 RAB9A (0.72) TRPV1
SCHEMBL14082220 0.83 NPC1 (0.61) TRPV1
SCHEMBL8401704 0.82 HDAC1 (0.89) HDAC1HDAC2HDAC3MAPK1HDAC4
SCHEMBL2828709 0.81 HDAC2 (0.72) HDAC1HDAC2HDAC3MAPK1HDAC4
SCHEMBL30864183 0.81 HDAC2 (0.72) HDAC1HDAC2HDAC3MAPK1HDAC4
SCHEMBL14108040 0.80 PTGS1 (0.67) HDAC1HDAC2HDAC3MAPK1HDAC4
SCHEMBL14082213 0.80 MAPT (0.61) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897778-B2 Benzamide compounds ASTRAZENECA (SE) 2011-03-01 US disclosed
US-20100075942-A1 N-PHENYL-4-PYRIDIN-2-YL-BENZAMIDE DERIVATIVES AS HISTONE DEACYLASE (HDAC) INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB 2010-03-25 US disclosed
US-20080293687-A1 Benzamide Compounds ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-20080200524-A1 Amide compounds as ion channel ligands and uses thereof KELLY MICHAEL G 2008-08-21 US disclosed
US-20080119451-A1 Novel Benzamide Derivatives ASTRAZENECA AB (SE) 2008-05-22 US disclosed
CN-101052620-A Benzamide compound ASTRAZENECA AB (SE) 2007-10-10 CN disclosed
WO-2007071961-A1 BENZAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2007-06-28 WO disclosed
WO-2007071956-A1 NOVEL BENZAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2007-06-28 WO disclosed
WO-2006077387-A2 NOVEL BENZAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2006-07-27 WO disclosed
WO-2006075160-A1 N-PHENYL-4-PYRIDIN-2-YL-BENZAMIDE DERIVATIVES AS HISTONE DEACYLASE (HDAC) INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2006-07-20 WO disclosed
WO-2006024841-A2 BENZAMIDE COMPOUNDS ASTRAZENECA AB (SE) 2006-03-09 WO 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 (4 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-20080200524-A1 Amide compounds as ion channel ligands and uses thereof TRPV1, TRPA1, TRPV2 HDAC1 556/4885HDAC2 660/4885HDAC3 324/4885
US-20100075942-A1 N-PHENYL-4-PYRIDIN-2-YL-BENZAMIDE DERIVATIVES AS HISTONE DEACYLASE (HDAC) INHIBITORS FOR THE TREATMENT OF CANCER HDAC1, HDAC2, HDAC3 HDAC1 1/4885HDAC2 2/4885HDAC3 3/4885
US-20080119451-A1 Novel Benzamide Derivatives HDAC1, HDAC11, HDAC2 HDAC1 1/4885HDAC2 3/4885HDAC3 5/4885
US-20080293687-A1 Benzamide Compounds HDAC1, HDAC11, HDAC2 HDAC1 1/4885HDAC2 3/4885HDAC3 4/4885

“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.