SCHEMBL6182355

SCHEMBL6182355

C[C@H](COc1ccc([N+](=O)[O-])cc1)N(C)C

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.57
ALDH1A1 P00352 1/20 0.55
MAPT P10636 2/20 0.51
KCNH2 Q12809 3/20 0.50
PTGS2 P35354 1/20 0.49
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 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
SCHEMBL6182354 1.00 GAA (0.57) GAAALDH1A1MAPTKCNH2PTGS2
SCHEMBL10643494 0.83 GAA (0.58) GAAALDH1A1MAPTKCNH2PTGS2
SCHEMBL3045885 0.83 MAPT (0.68) GAAALDH1A1MAPTKCNH2PTGS2
SCHEMBL25334632 0.82 CHRNB2 (0.62) MAPTSMN1; SMN2LMNA
SCHEMBL25322342 0.82 CHRNB2 (0.62) MAPTSMN1; SMN2LMNA
SCHEMBL25322339 0.82 CHRNB2 (0.62) MAPTSMN1; SMN2LMNA
SCHEMBL9628334 0.82 KCNH2 (0.62) GAAALDH1A1MAPTKCNH2
SCHEMBL25334710 0.81 CHRNB2 (0.60) MAPTSMN1; SMN2LMNA
SCHEMBL25334498 0.81 CHRNB2 (0.60) MAPTSMN1; SMN2LMNA
SCHEMBL1496777 0.80 GAA (0.63) GAAALDH1A1MAPTPTGS2POLB

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-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 GAA 4291/4885ALDH1A1 1361/4885MAPT 3023/4885

“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.