SCHEMBL4822111

SCHEMBL4822111

CCNC(C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.56
ALDH1A1 P00352 7/20 0.56
SIRT6 Q8N6T7 2/20 0.56
POLB P06746 1/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HTT P42858 1/20 0.49
ADRB1 P08588 1/20 0.49

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
SCHEMBL5744480 0.82 SIRT6 (0.60) MAPTALDH1A1SIRT6POLBLMNA
SCHEMBL374834 0.81 SIRT6 (0.68) MAPTALDH1A1SIRT6POLBLMNA
SCHEMBL1045279 0.80 SIRT6 (0.62) MAPTALDH1A1SIRT6POLBLMNA
SCHEMBL1989595 0.79 SIRT6 (0.64) MAPTALDH1A1SIRT6POLBLMNA
SCHEMBL4252494 0.79 SIRT6 (0.64) MAPTALDH1A1SIRT6POLBLMNA
SCHEMBL6992319 0.79 SIRT6 (0.64) MAPTALDH1A1SIRT6POLBLMNA
SCHEMBL4248037 0.77 SIRT6 (0.62) MAPTALDH1A1SIRT6POLBLMNA
SCHEMBL15271381 0.77 SIRT6 (0.81) MAPTALDH1A1SIRT6POLBLMNA
SCHEMBL6151230 0.77 SIRT6 (0.81) MAPTALDH1A1SIRT6POLBLMNA
SCHEMBL28879244 0.76 SIRT6 (0.54) MAPTALDH1A1SIRT6POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442698-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-10-28 US disclosed
US-20050107374-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-05-19 US disclosed
US-20050026914-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-03 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 (2 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-20050026914-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, BET1 MAPT 1512/4885ALDH1A1 370/4885SIRT6 2716/4885
US-20050107374-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 MAPT 333/4885ALDH1A1 1063/4885SIRT6 3760/4885

“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.