SCHEMBL5564987

SCHEMBL5564987

Cc1cc(-c2cccc(C(=O)CC(=O)Nc3cc(C(F)(F)F)c(N4CCOCC4)cc3NC(=O)OC(C)(C)C)c2)cc(C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.41
SCN5A Q14524 1/20 0.41
RAF1 P04049 3/20 0.40
BRAF P15056 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3C2B O00750 1/20 0.38
AKT1 P31749 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 1/20 0.37
WNT3A P56704 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 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
SCHEMBL5562634 0.93 TAAR1 (0.38) TSHRL3MBTL1KMT2AMAPT
SCHEMBL5562672 0.92 SCN9A (0.43) SCN9ASCN5ARAF1BRAFKDM4E
SCHEMBL5564112 0.89 POLB (0.45) SCN9ASCN5ARAF1BRAFKDM4E
SCHEMBL6433297 0.89 SCN9A (0.39) SCN9ASCN5ARAF1BRAFKDM4E
SCHEMBL6436344 0.88 SCN9A (0.41) SCN9ASCN5ARAF1BRAFALDH1A1
SCHEMBL5557324 0.85 WNT3A (0.39) SCN9ATSHRL3MBTL1KMT2AWNT3A
SCHEMBL6435406 0.85 PLOD2 (0.41) KDM4EHPGDTSHRALDH1A1SMN1; SMN2
SCHEMBL5563424 0.84 POLB (0.40) SCN9ASCN5AHPGDLMNA
SCHEMBL5558167 0.84 ALDH1A1 (0.40) SCN9ASCN5AALDH1A1KMT2AMAPT
SCHEMBL5557411 0.84 ALDH1A1 (0.40) SCN9ASCN5AALDH1A1KMT2AMAPT

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 3 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
US-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG (CH) 2003-09-04 US 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 SCN9A 1189/4885SCN5A 303/4885RAF1 2417/4885

“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.