SCHEMBL4333368

SCHEMBL4333368

CCNC1CCN(c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
ALDH1A1 P00352 4/20 0.51
MAPK1 P28482 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SIRT6 Q8N6T7 2/20 0.49
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.46
ADRB1 P08588 1/20 0.46

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
SCHEMBL4347097 0.92 MAPT (0.58) MAPTALDH1A1MEN1KMT2ASIRT6
SCHEMBL4344828 0.88 MEN1 (0.56) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL1749907 0.85 MAPT (0.56) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL1749909 0.85 MAPT (0.56) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL1749672 0.84 MAPT (0.50) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL1749671 0.84 MAPT (0.50) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL2879055 0.81 MAPT (0.52) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL1749646 0.80 MAPT (0.57) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL1749644 0.80 MAPT (0.57) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL3551387 0.80 MAPT (0.57) MAPTALDH1A1MAPK1MEN1KMT2A

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
EP-1740576-B1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed
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
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 762/4885MAPK1 336/4885

“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.