SCHEMBL5556906

SCHEMBL5556906

CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CC(=O)c1cccc(-c2cnccn2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ABL1 P00519 1/20 0.43
CCR2 P41597 1/20 0.42
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
GAA P10253 1/20 0.40
BRAF P15056 1/20 0.38
RXRA P19793 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
PORCN Q9H237 1/20 0.38
POLB P06746 1/20 0.37
VNN1 O95497 1/20 0.37
WNT3A P56704 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
SCHEMBL5556638 0.90 MEN1 (0.44) KMT2AMEN1ALDH1A1CCR2TSHR
SCHEMBL5563087 0.90 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1CCR2RXFP1
SCHEMBL5557195 0.89 MEN1 (0.43) KMT2AMEN1ALDH1A1ABL1CCR2
SCHEMBL5557461 0.89 CYP17A1 (0.46) KMT2AMEN1ALDH1A1CCR2RXFP1
SCHEMBL5557676 0.87 CCR2 (0.43) KMT2AMEN1ALDH1A1ABL1CCR2
SCHEMBL5557288 0.87 ABL1 (0.42) ABL1PORCNPOLBWNT3ASCN5A
SCHEMBL5557546 0.87 ABL1 (0.42) ABL1PORCNPOLBWNT3ASCN5A
SCHEMBL5563428 0.87 MEN1 (0.44) KMT2AMEN1ALDH1A1CCR2RXFP1
SCHEMBL5558526 0.86 ABL1 (0.42) KMT2AMEN1ALDH1A1ABL1PORCN
SCHEMBL5557208 0.86 ABL1 (0.42) KMT2AMEN1ALDH1A1ABL1PORCN

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 KMT2A 1661/4885MEN1 1739/4885ALDH1A1 314/4885

“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.