SCHEMBL5564095

SCHEMBL5564095

CCCOc1cc(NC(=O)OC(C)(C)C)c(N)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 10/20 0.40
S1PR1 P21453 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC3 O15379 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
RXFP1 Q9HBX9 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL2316733 0.91 AAK1 (0.41) AAK1LMNAPOLBRXFP1
SCHEMBL5558290 0.90 KDM4E (0.43) AAK1LMNAPOLBRXFP1
SCHEMBL5562433 0.88 AAK1 (0.46) AAK1HDAC1HDAC2HDAC3LMNA
SCHEMBL27597182 0.85 S1PR1 (0.42) S1PR1HDAC1HDAC2HDAC3LMNA
SCHEMBL5563337 0.84 AAK1 (0.46) AAK1LMNAPOLBRXFP1
SCHEMBL5557192 0.83 AAK1 (0.43) AAK1HDAC1HDAC2HDAC3LMNA
SCHEMBL5563407 0.82 SMN1; SMN2 (0.43) AAK1LMNAPOLBMAPT
SCHEMBL5557764 0.82 LMNA (0.42) AAK1HDAC1HDAC2HDAC3LMNA
SCHEMBL5558175 0.81 LMNA (0.40) AAK1S1PR1LMNAPOLBRXFP1
SCHEMBL2316853 0.79 LMNA (0.44) AAK1LMNAPOLBRXFP1

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 AAK1 2928/4885S1PR1 2607/4885HDAC1 1172/4885

“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.