SCHEMBL10690527

SCHEMBL10690527

CC1(Br)C(=O)Nc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.67
PDK4 Q16654 1/20 0.67
LMNA P02545 2/20 0.52
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
POLB P06746 2/20 0.46
GAA P10253 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CHRM2 P08172 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
KCNH2 Q12809 1/20 0.46
MAPK1 P28482 1/20 0.46
AKR1B1 P15121 1/20 0.46
KDM4E B2RXH2 2/20 0.44
BACE1 P56817 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
RUNX1 Q01196 1/20 0.44
CBFB Q13951 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
SCHEMBL29518706 0.80 PDK2 (1.00) PDK2PDK4LMNAKMT2AMEN1
SCHEMBL319934 0.80 PDK2 (1.00) PDK2PDK4LMNAKMT2AMEN1
SCHEMBL3624117 0.80 PDK2 (0.57) PDK2PDK4LMNAKMT2AMEN1
SCHEMBL30468523 0.80 PDK2 (0.57) PDK2PDK4LMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL27740779 0.78 PDK2 (0.96) PDK2PDK4LMNAKMT2AMEN1
SCHEMBL2313519 0.77 PDK2 (0.64) PDK2PDK4LMNAKMT2AMEN1
SCHEMBL2313521 0.77 PDK2 (0.64) PDK2PDK4LMNAKMT2AMEN1
SCHEMBL2264504 0.77 PDK2 (0.64) PDK2PDK4LMNAKMT2AMEN1
SCHEMBL2264508 0.77 PDK2 (0.64) PDK2PDK4LMNAKMT2AMEN1
SCHEMBL2266448 0.77 PDK2 (0.64) PDK2PDK4LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117069647-B Bifunctional spiro catalyst and synthetic method and application thereof 兰州大学 2024-11-08 CN disclosed
CN-117069647-A Bifunctional spiro catalyst and synthetic method and application thereof 兰州大学 2023-11-17 CN disclosed
EP-2665706-B1 NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES AS HDAC INHIBITORS FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2014-10-22 EP disclosed
EP-2665706-B1 NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES AS HDAC INHIBITORS FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2014-10-22 EP disclosed
EP-2665706-A1 NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES AS HDAC INHIBITORS FOR THE TREATMENT OF CANCER F.HOFFMANN-LA ROCHE AG (CH) 2013-11-27 EP disclosed
CN-103328446-A Novel 4-amino-n-hydroxy-benzamides for the treatment of cancer HOFFMANN LA ROCHE 2013-09-25 CN disclosed
US-8404738-B2 4-amino-N-hydroxy-benzamides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
US-8404738-B2 4-amino-N-hydroxy-benzamides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
US-8404738-B2 4-amino-N-hydroxy-benzamides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
US-20120190700-A1 NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. 2012-07-26 US disclosed
US-20120190700-A1 NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. 2012-07-26 US disclosed
WO-2012098132-A1 NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES AS HDAC INHIBITORS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
WO-2012098132-A1 NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES AS HDAC INHIBITORS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
US-20120190700-A1 NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. 2012-07-26 US disclosed
US-4757068-A Lactams and bicyclic lactams useful as cholecystokinin antagonists MERCK & CO., INC. (US) 1988-07-12 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-20120190700-A1 NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER HRH4, H1-4, HNMT PDK2 1103/4885PDK4 618/4885LMNA 3523/4885

“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.