SCHEMBL5042470

SCHEMBL5042470

CCCCN(C)c1cnc(C(N)=O)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.46
SIRT6 Q8N6T7 2/20 0.41
AR P10275 1/20 0.39
TSHR P16473 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL5133491 0.94 HCAR3 (0.43) HCAR3SIRT6ARTSHRMAPT
SCHEMBL30482977 0.84 SIRT6 (0.46) HCAR3SIRT6TSHRMAPTKDM4E
SCHEMBL6469271 0.84 SIRT6 (0.41) HCAR3SIRT6TSHRMAPTKDM4E
SCHEMBL2793061 0.81 SIRT6 (0.47) HCAR3SIRT6ADRA1A
SCHEMBL5037386 0.81 SIRT6 (0.41) HCAR3SIRT6TSHRKMT2AAOC3
SCHEMBL6468479 0.78 PIM2 (0.39) HCAR3ARTSHRKDM4EMEN1
SCHEMBL30874243 0.77 SIRT6 (0.52) HCAR3SIRT6TSHRKDM4EALDH1A1
SCHEMBL2222631 0.77 SIRT6 (0.52) HCAR3SIRT6TSHRKDM4EALDH1A1
SCHEMBL5133007 0.76 NNMT (0.42) HCAR3ARTSHRMAPTKDM4E
SCHEMBL5042475 0.76 AR (0.43) HCAR3ARMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP claimed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP claimed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 WO claimed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA HCAR3 748/4885SIRT6 750/4885AR 2835/4885

“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.