SCHEMBL7242557

SCHEMBL7242557

CC(C)(C)OC(=O)NCc1ccc(Nc2ccccc2N(Cc2ccc(-c3ccccc3)cc2)C(=O)CC(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.50
NAMPT P43490 4/20 0.43
BRD4 O60885 1/20 0.42
CACNA1G O43497 2/20 0.41
SDCBP O00560 1/20 0.40
SDC2 P34741 1/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
AKT1 P31749 2/20 0.39
MAPT P10636 4/20 0.38
TDP1 Q9NUW8 4/20 0.38
KDM4E B2RXH2 3/20 0.38
RORC P51449 1/20 0.38
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7248327 0.92 FPR3 (0.43) HDAC1NAMPTBRD4CTSSCTSK
SCHEMBL7248486 0.83 BRD4 (0.44) HDAC1NAMPTBRD4CTSSAKT1
SCHEMBL7242751 0.82 BRD4 (0.42) HDAC1NAMPTBRD4AKT1MAPT
SCHEMBL5208188 0.81 HDAC1 (0.51) HDAC1NAMPTBRD4CACNA1GSDCBP
SCHEMBL5205406 0.78 HDAC1 (0.46) HDAC1NAMPTBRD4CACNA1GSDCBP
SCHEMBL1691047 0.77 HDAC1 (0.67) HDAC1NAMPTSDCBPSDC2CTSS
SCHEMBL5204889 0.76 HDAC1 (0.47) HDAC1NAMPTSDCBPSDC2CTSS
SCHEMBL7249520 0.76 NAMPT (0.53) HDAC1NAMPTBRD4MAPTTDP1
SCHEMBL5208000 0.72 HDAC1 (0.44) HDAC1SDCBPSDC2AKT1TDP1
SCHEMBL2807761 0.71 NAMPT (0.51) HDAC1NAMPTBRD4CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030149027-A1 1,5-benzodiazepine compounds, their production and use OI SATORU (JP) 2003-08-07 US disclosed
EP-1123928-A1 1,5-BENZODIAZEPINE COMPOUNDS, PROCESS FOR PRODUCING THE SAME, AND MEDICINE Takeda Chemical Industries, Ltd. (JP) 2001-08-16 EP 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-20030149027-A1 1,5-benzodiazepine compounds, their production and use GABRA1, GABRA5, CNR1 HDAC1 402/4885NAMPT 4081/4885BRD4 671/4885

“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.