SCHEMBL6181967

SCHEMBL6181967

CCNCCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.68
DRD2 P14416 1/20 0.68
DRD4 P21917 1/20 0.68
DRD3 P35462 1/20 0.68
ALDH1A1 P00352 2/20 0.56
MAPT P10636 7/20 0.55
PTGS2 P35354 1/20 0.53
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 2/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL18045551 0.90 KCNH2 (0.82) KCNH2DRD2DRD4DRD3ALDH1A1
Hydrochloric Acid SCHEMBL11280537 0.88 KCNH2 (0.69) KCNH2DRD2DRD4DRD3ALDH1A1
SCHEMBL6245246 0.86 KCNH2 (0.71) KCNH2DRD2DRD4DRD3ALDH1A1
SCHEMBL4901084 0.83 KCNH2 (0.63) KCNH2DRD2DRD4DRD3ALDH1A1
SCHEMBL18869304 0.82 DRD2 (0.66) KCNH2DRD2DRD4DRD3ALDH1A1
SCHEMBL3714196 0.81 KCNH2 (1.00) KCNH2DRD2DRD4DRD3ALDH1A1
SCHEMBL4326273 0.81 MAPT (0.62) KCNH2DRD2DRD4DRD3ALDH1A1
SCHEMBL2565246 0.81 MAPT (0.67) KCNH2DRD2DRD4DRD3ALDH1A1
Hydrochloric Acid SCHEMBL9737088 0.81 DRD2 (0.64) KCNH2DRD2DRD4DRD3ALDH1A1
SCHEMBL6228523 0.80 MAPT (0.65) KCNH2DRD2DRD4DRD3ALDH1A1

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
WO-2007038669-A9 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC 2008-05-29 WO disclosed
WO-2007038669-A2 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2007-04-05 WO disclosed
EP-1507530-B1 DIAMINOTHIAZOLES AND USE THEREOF AS CDK4 INHIBITORS HOFFMANN LA ROCHE (CH) 2005-11-02 EP 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 KCNH2 4150/4885DRD2 1976/4885DRD4 1067/4885

“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.