SCHEMBL5564112

SCHEMBL5564112

CC(C)(C)OC(=O)Nc1cc(N2CCOCC2)c(C(F)(F)F)cc1NC(=O)CC(=O)c1cccc(-c2cccnc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
PLOD2 O00469 1/20 0.44
PLOD3 O60568 1/20 0.44
PLOD1 Q02809 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SCN9A Q15858 4/20 0.41
SCN5A Q14524 3/20 0.41
CSF1R P07333 2/20 0.40
KIT P10721 2/20 0.40
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5562048 0.93 CSF1R (0.41) SCN9ASCN5ACSF1RKITHTR2A
SCHEMBL5562672 0.90 SCN9A (0.43) KDM4ESCN9ASCN5ARAF1BRAF
SCHEMBL5564987 0.89 SCN9A (0.41) KDM4EALDH1A1LMNASCN9ASCN5A
SCHEMBL6436344 0.88 SCN9A (0.41) POLBALDH1A1SCN9ASCN5ARAF1
SCHEMBL6433297 0.86 SCN9A (0.39) POLBKDM4EALDH1A1SCN9ASCN5A
SCHEMBL5562149 0.85 SCN5A (0.43) POLBSCN9ASCN5ACSF1RKIT
SCHEMBL5562285 0.85 SCN5A (0.43) POLBSCN9ASCN5ACSF1RKIT
SCHEMBL5557386 0.84 SCN5A (0.46) POLBALDH1A1SCN9ASCN5ACSF1R
SCHEMBL5561272 0.84 SCN5A (0.46) POLBALDH1A1SCN9ASCN5ACSF1R
SCHEMBL5557450 0.84 SCN5A (0.42) POLBSCN9ASCN5ACSF1RKIT

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 POLB 1609/4885PLOD2 3273/4885PLOD3 4805/4885

“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.