SCHEMBL7250394

SCHEMBL7250394

CCOC(=O)CC(=O)N(Cc1ccc(Br)cc1)c1ccccc1Nc1ccc(C(N)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 2/20 0.32
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
AKT1 P31749 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.31
MDM2 Q00987 1/20 0.31
CACNA1B Q00975 1/20 0.31
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 2/20 0.30
LTA4H P09960 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
DHODH Q02127 1/20 0.30
KCNH2 Q12809 1/20 0.30
GAA P10253 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
HDAC3 O15379 1/20 0.30

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
SCHEMBL7242751 0.85 BRD4 (0.42) ALDH1A1LMNAAKT1CACNA1BMAPT
SCHEMBL7248327 0.75 FPR3 (0.43) AKT1MAPTMEN1KMT2AKDM4E
SCHEMBL7248486 0.69 BRD4 (0.44) AKT1HDAC1
SCHEMBL27590289 0.68 KDM4E (0.41) ALDH1A1LMNAMAPTKDM4E
SCHEMBL27571929 0.67 ALDH1A1 (0.41) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL7249558 0.67 CYP4F2 (0.55) NPSR1GAA
SCHEMBL7242557 0.67 HDAC1 (0.50) AKT1MAPTNPSR1MEN1KMT2A
SCHEMBL1638182 0.65 PPARA (0.35) TP53MAPTLTA4H
SCHEMBL27572794 0.63 CYP4F2 (0.46) ALDH1A1LMNATP53MAPTGAA
SCHEMBL855255 0.63 LOXL2 (0.41) LMNALTA4HKMT2AKDM4EHDAC3

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 ALDH1A1 745/4885LMNA 2118/4885TP53 4883/4885

“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.