SCHEMBL5557982

SCHEMBL5557982

CC(C)(C)OC(=O)Nc1cc(OCC(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
AR P10275 4/20 0.48
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL5562070 0.91 KMT2A (0.50) SMN1; SMN2ARMEN1KMT2ACYP1A2
SCHEMBL5557165 0.87 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL25312862 0.84 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL6434084 0.83 SMN1; SMN2 (0.49) SMN1; SMN2ARALDH1A1MEN1KMT2A
SCHEMBL1130860 0.83 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL25312928 0.82 SMN1; SMN2 (0.54) SMN1; SMN2ARMEN1KMT2ACYP1A2
SCHEMBL28526955 0.82 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL5559850 0.81 CYP1A2 (0.45) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL5563504 0.81 AAK1 (0.41) AR
SCHEMBL6166451 0.80 CYP1A2 (0.37) ARALDH1A1MEN1KMT2ACYP1A2

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 SMN1; SMN2 538/4885AR 2285/4885ALDH1A1 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.