SCHEMBL4897276

SCHEMBL4897276

Cc1cc(NC(=O)CCN2CCCC2)cnc1-c1ccc(C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.68
KCNH2 Q12809 4/20 0.56
BRD4 O60885 1/20 0.51
JAK1 P23458 1/20 0.51
TERT O14746 3/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPT P10636 1/20 0.48

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
SCHEMBL5821765 0.88 HDAC1 (0.58) HDAC1KCNH2
SCHEMBL4899379 0.83 HDAC1 (0.69) HDAC1KCNH2BRD4JAK1
SCHEMBL4891759 0.83 HDAC1 (0.96) HDAC1KCNH2
SCHEMBL4899695 0.82 HDAC1 (0.75) HDAC1KCNH2BRD4JAK1
SCHEMBL4898273 0.81 HDAC1 (1.00) HDAC1KCNH2
SCHEMBL4898587 0.78 HDAC1 (0.86) HDAC1KCNH2
SCHEMBL4890641 0.77 HDAC1 (0.67) HDAC1KCNH2
SCHEMBL4893535 0.77 HDAC1 (0.81) HDAC1KCNH2BRD4JAK1
SCHEMBL4887589 0.76 HDAC1 (0.47) HDAC1
SCHEMBL4896659 0.76 HDAC1 (1.00) HDAC1KCNH2

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-20080119451-A1 Novel Benzamide Derivatives ASTRAZENECA AB (SE) 2008-05-22 US claimed
WO-2006077387-A2 NOVEL BENZAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2006-07-27 WO claimed
US-20080119451-A1 Novel Benzamide Derivatives ASTRAZENECA AB (SE) 2008-05-22 US disclosed
US-20080119451-A1 Novel Benzamide Derivatives ASTRAZENECA AB (SE) 2008-05-22 US disclosed
US-20080119451-A1 Novel Benzamide Derivatives ASTRAZENECA AB (SE) 2008-05-22 US disclosed
WO-2006077387-A2 NOVEL BENZAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2006-07-27 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 (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-20080119451-A1 Novel Benzamide Derivatives HDAC1, HDAC11, HDAC2 HDAC1 1/4885KCNH2 1230/4885BRD4 30/4885

“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.