SCHEMBL6184282

SCHEMBL6184282

CC(C)(C)OC(=O)N1CCC[C@H]1COc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 3/20 0.48
CHRNA3 P32297 3/20 0.48
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
ALOX5AP P20292 3/20 0.47
FEN1 P39748 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GPR119 Q8TDV5 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL6191591 1.00 CHRNB4 (0.48) CHRNB4CHRNA3ALDH1A1LMNAMAPT
SCHEMBL9242426 0.88 CHRNB4 (0.67) CHRNB4CHRNA3ALOX5APFEN1
SCHEMBL4476971 0.88 CHRNB4 (0.67) CHRNB4CHRNA3ALOX5APFEN1
SCHEMBL4476967 0.88 CHRNB4 (0.67) CHRNB4CHRNA3ALOX5APFEN1
SCHEMBL25594933 0.85 CHRNB4 (0.51) CHRNB4CHRNA3LMNAALOX5APFEN1
SCHEMBL25594927 0.85 CHRNB4 (0.51) CHRNB4CHRNA3LMNAALOX5APFEN1
SCHEMBL4314692 0.85 GPR119 (0.49) CHRNB4CHRNA3ALOX5APFEN1GPR119
SCHEMBL2889380 0.85 GPR119 (0.49) CHRNB4CHRNA3ALOX5APFEN1GPR119
SCHEMBL6535537 0.85 GPR119 (0.49) LMNAALOX5APFEN1GPR119
SCHEMBL6535548 0.85 GPR119 (0.49) ALDH1A1ALOX5APFEN1GPR119

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100400041-C Diaminothiazoles useful as selective inhibitors of CDK4 HOFFMANN LA ROCHE (CH) 2008-07-09 CN disclosed
EP-1507530-B1 DIAMINOTHIAZOLES AND USE THEREOF AS CDK4 INHIBITORS HOFFMANN LA ROCHE (CH) 2005-11-02 EP disclosed
CN-1652780-A Diaminothiazoles used as CDK4 inhibitors HOFFMANN LA ROCHE (CH) 2005-08-10 CN disclosed
EP-1507530-A1 DIAMINOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2005-02-23 EP disclosed
US-6818663-B2 AS INHIBITORS OF CYCLIN-DEPENDENT KINASE 4 (CDK4); ANTIPROLIFERATIVE AGENTS; FOR THERAPY OF CANCER, TUMORS HOFFMANN-LA ROCHES 2004-11-16 US disclosed
US-20040006058-A1 DIAMINOTHIAZOLES CHU XIN-JIE (US) 2004-01-08 US disclosed
WO-2003097048-A1 DIAMINOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-27 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-20040006058-A1 DIAMINOTHIAZOLES CDK4, CDK1, CDK2 CHRNB4 3974/4885CHRNA3 4386/4885ALDH1A1 1361/4885

“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.