SCHEMBL7248486

SCHEMBL7248486

CC(C)(C)OC(=O)NCc1cccc(Nc2ccccc2N(Cc2ccc(Br)cc2)C(=O)CC(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.44
AKT1 P31749 3/20 0.40
HDAC1 Q13547 2/20 0.39
FPR3 P25089 2/20 0.37
FPR2 P25090 2/20 0.37
CCKBR P32239 1/20 0.37
GLS O94925 2/20 0.36
NAMPT P43490 2/20 0.36
SENP1 Q9P0U3 1/20 0.35
EGFR P00533 1/20 0.35
RAF1 P04049 1/20 0.35
KDR P35968 1/20 0.35
MAP2K2 P36507 1/20 0.35
MAP2K1 Q02750 1/20 0.35
AURKB Q96GD4 1/20 0.35
CTSL P07711 2/20 0.35
CTSB P07858 2/20 0.35
CTSS P25774 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.35

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 0.91 FPR3 (0.43) BRD4AKT1HDAC1FPR3FPR2
SCHEMBL7242557 0.83 HDAC1 (0.50) BRD4AKT1HDAC1NAMPTCTSS
SCHEMBL7242751 0.82 BRD4 (0.42) BRD4AKT1HDAC1FPR3FPR2
SCHEMBL3509267 0.70 BRD4 (0.52) BRD4HDAC1CCKBRGLSNAMPT
SCHEMBL3866209 0.69 BACE1 (0.51) HDAC1SENP1
SCHEMBL29820228 0.69 CTSB (0.56) BRD4GLSNAMPTCTSBCTSS
SCHEMBL507151 0.69 CTSB (0.56) BRD4GLSNAMPTCTSBCTSS
SCHEMBL81094 0.69 FPR3 (0.58) HDAC1FPR3FPR2NAMPTCTSS
SCHEMBL5208000 0.69 HDAC1 (0.44) AKT1HDAC1GLS
SCHEMBL7250394 0.69 ALDH1A1 (0.34) AKT1HDAC1

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 BRD4 671/4885AKT1 1658/4885HDAC1 402/4885

“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.