SCHEMBL5558080

SCHEMBL5558080

C=Cc1cc(NC(=O)OC(C)(C)C)c(N)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
RXFP1 Q9HBX9 1/20 0.38
CFTR P13569 2/20 0.36
AAK1 Q2M2I8 8/20 0.35
MAP4K4 O95819 1/20 0.34
CACNA1H O95180 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNA1C Q13936 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CYP17A1 P05093 1/20 0.32

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
SCHEMBL18091727 0.84 RXFP1 (0.40) LMNAPOLBRXFP1CACNA1HCACNA1B
SCHEMBL16529422 0.84 RXFP1 (0.40) LMNAPOLBRXFP1CFTRMAP4K4
SCHEMBL2316853 0.82 LMNA (0.44) LMNAPOLBRXFP1CFTRAAK1
SCHEMBL5563358 0.82 LMNA (0.44) LMNAPOLBRXFP1CFTRAAK1
SCHEMBL29430784 0.82 LMNA (0.44) LMNAPOLBRXFP1CFTRAAK1
SCHEMBL29446519 0.82 LMNA (0.44) LMNAPOLBRXFP1CFTRAAK1
SCHEMBL27615838 0.81 CFTR (0.35) CFTRHDAC3HDAC1HDAC2
SCHEMBL5557060 0.81 AR (0.42) LMNAPOLBRXFP1
SCHEMBL26405752 0.81 LMNA (0.44) LMNAPOLBRXFP1CFTRAAK1
SCHEMBL29430822 0.81 LMNA (0.43) LMNAPOLBRXFP1CFTRAAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474416-B1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2007-09-26 EP disclosed
US-6949542-B2 Dihydro-benzo[b][1,4]diazepin-2-one derivatives HOFFMAN-LA ROCHE INC. (US) 2005-09-27 US disclosed
EP-1474416-A1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 EP disclosed
US-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG (CH) 2003-09-04 US disclosed
WO-2003066623-A1 DIHYDROBENZODIAZEPIN-2-ONE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 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-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives CYP1B1, GRIN2B, CYP4B1 LMNA 2415/4885POLB 1609/4885RXFP1 570/4885

“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.