SCHEMBL2017232

SCHEMBL2017232

CC(C(=O)Nc1ncc(C(=O)NO)s1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.50
CCNE1 P24864 4/20 0.50
CCNE2 O96020 2/20 0.50
CDK4 P11802 1/20 0.50
CCND1 P24385 1/20 0.50
POLB P06746 1/20 0.50
GLS O94925 3/20 0.49
FFAR2 O15552 3/20 0.49
CDK5 Q00535 2/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC3 O15379 3/20 0.47
HDAC4 P56524 2/20 0.47
NAMPT P43490 1/20 0.46
HDAC6 Q9UBN7 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC2 Q92769 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
SCHEMBL2016728 0.87 FFAR2 (0.65) FFAR2HDAC1HDAC3HDAC4HDAC6
SCHEMBL2014619 0.85 GLS (0.54) CDK2CCNE1GLSFFAR2CDK5
SCHEMBL2016410 0.84 HDAC1 (0.61) POLBHDAC1HDAC3HDAC4HDAC6
SCHEMBL14394637 0.82 FFAR2 (0.57) CDK2CCNE1CCNE2CDK4CCND1
SCHEMBL5836965 0.81 CDK2 (0.73) CDK2CCNE1CCNE2CDK4CCND1
SCHEMBL5836458 0.81 CDK2 (0.73) CDK2CCNE1CCNE2CDK4CCND1
SCHEMBL5836467 0.81 CDK2 (0.73) CDK2CCNE1CCNE2CDK4CCND1
SCHEMBL2019341 0.81 GLS (0.58) POLBGLSHDAC1HDAC3HDAC4
SCHEMBL2014267 0.80 GLS (0.49) CDK2CCNE1POLBGLSFFAR2
SCHEMBL2020130 0.77 HDAC1 (0.54) POLBHDAC1HDAC3HDAC4HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9221773-B2 Benzamide derivatives THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2015-12-29 US claimed
US-20130045982-A1 BENZAMIDE DERIVATIVES THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2013-02-21 US claimed
WO-2011079036-A1 BENZAMIDE DERIVATIVES THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2011-06-30 WO claimed
US-9221773-B2 Benzamide derivatives THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2015-12-29 US disclosed
US-9221773-B2 Benzamide derivatives THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2015-12-29 US disclosed
US-20130045982-A1 BENZAMIDE DERIVATIVES THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2013-02-21 US disclosed
US-20130045982-A1 BENZAMIDE DERIVATIVES THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2013-02-21 US disclosed
WO-2011079036-A1 BENZAMIDE DERIVATIVES THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2011-06-30 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-20130045982-A1 BENZAMIDE DERIVATIVES BAD, BAK1, BRDT CDK2 414/4885CCNE1 666/4885CCNE2 1212/4885

“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.