SCHEMBL5490336

SCHEMBL5490336

CCN(C(=O)OC(C)(C)C)C1CCN(c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.52
ALDH1A1 P00352 8/20 0.52
LMNA P02545 2/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.45
CCR5 P51681 2/20 0.44
HTT P42858 2/20 0.43
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 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
SCHEMBL4339018 0.94 MAPT (0.57) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL4336228 0.90 MAPT (0.49) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL4349234 0.85 CCR5 (0.44) MAPTSMN1; SMN2CCR5
SCHEMBL4351231 0.85 MAPT (0.57) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL16570126 0.84 MAPT (0.60) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL15244306 0.83 MAPT (0.55) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL27624515 0.82 MAPT (0.52) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL594885 0.81 MAPT (0.60) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL4338080 0.80 TP53 (0.40) CCR5TP53
SCHEMBL30773887 0.78 GPR119 (0.41) CCR5

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-1740576-B1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 US disclosed
EP-1740576-A1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES F. Hoffman-la Roche AG (CH) 2007-01-10 EP disclosed
WO-2005103034-A1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES F. HOFFMAN-LA ROCHE AG (CH) 2005-11-03 WO disclosed
US-20050239843-A1 Diaminothiazoles DING QINGJIE 2005-10-27 US 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-20050239843-A1 Diaminothiazoles CDK4, CDK2, CDK1 MAPT 1975/4885ALDH1A1 762/4885LMNA 2555/4885

“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.