SCHEMBL3319737

SCHEMBL3319737

Cc1cnc(C(=O)N2CCN(C(=O)CC(C)(C)C(N)=O)CC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
ALDH1A1 P00352 7/20 0.42
MYC P01106 1/20 0.42
ATM Q13315 1/20 0.42
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
PKM P14618 1/20 0.38
BLM P54132 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
NAMPT P43490 1/20 0.38
EPHX2 P34913 1/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3320722 0.84 DPP4 (0.49) ALDH1A1HPGDMEN1KMT2ATSHR
SCHEMBL3320069 0.79 KMT2A (0.50) ALDH1A1HPGDTDP1MAPTKMT2A
SCHEMBL3319297 0.79 L3MBTL1 (0.62) HTTALDH1A1EPHX2SMN1; SMN2
SCHEMBL3319624 0.78 HTR2A (0.50) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL3319734 0.77 ALDH1A1 (0.42) HTTALDH1A1MYCATMLMNA
SCHEMBL3320869 0.75 SCN9A (0.34) BLMNAMPT
SCHEMBL13779974 0.74 ALDH1A1 (0.51) HTTALDH1A1MYCLMNAHPGD
SCHEMBL10330247 0.74 HPGD (0.56) ALDH1A1MYCATMLMNAHPGD
SCHEMBL4081221 0.74 MYC (0.46) HTTALDH1A1MYCATMLMNA
SCHEMBL18390522 0.74 ALDH1A1 (0.50) HTTALDH1A1MYCATMLMNA

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
US-20100125075-A1 Antibacterial Agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2010-05-20 US disclosed
US-7186719-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS (GB) 2007-03-06 US disclosed
US-20050065095-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2005-03-24 US disclosed
US-6846825-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2005-01-25 US disclosed
WO-2001010834-A9 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARM (GB) 2001-08-09 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 (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-20050065095-A1 Antibacterial agents NQO2, DAO, Q6ZSR9 HTT 2299/4885ALDH1A1 2137/4885MYC 1366/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 HTT 2332/4885ALDH1A1 2288/4885MYC 1241/4885

“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.