SCHEMBL3862000

SCHEMBL3862000

C=CCn1c(=O)ccc2ccc(F)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CYP3A4 P08684 1/20 0.38
SHMT2 P34897 1/20 0.37
ALDH1A1 P00352 5/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR2C P28335 2/20 0.35
KMT2A Q03164 2/20 0.35
HTR2A P28223 1/20 0.35
GAA P10253 1/20 0.35
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
MEN1 O00255 1/20 0.34
CCR2 P41597 1/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL11003744 0.89 SHMT2 (0.39) HDAC1HDAC6CYP3A4SHMT2ALDH1A1
SCHEMBL3839835 0.85 HDAC1 (0.43) HDAC1HDAC6HTR2CKMT2AHTR2A
SCHEMBL4303327 0.81 CYP3A4 (0.36) CYP3A4SHMT2ALDH1A1MAPTTDP1
SCHEMBL3857344 0.78 CYP3A4 (0.36) CYP3A4SHMT2ALDH1A1MAPTTDP1
SCHEMBL14320197 0.78 BTK (0.46) HDAC1HDAC6MAPTSMN1; SMN2HTR2C
SCHEMBL8442790 0.78 CA12 (0.47) CYP3A4ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL4297734 0.77 KDM4E (0.41) CYP3A4ALDH1A1MAPTTDP1HPGD
SCHEMBL3839888 0.77 TNFRSF1A (0.52) ALDH1A1MAPTSMN1; SMN2HPGDHTR2C
SCHEMBL2687942 0.76 KCNH2 (0.41) CYP3A4ALDH1A1MAPTTDP1HPGD
SCHEMBL3859045 0.76 ALDH1A1 (0.39) CYP3A4ALDH1A1MAPTTDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044077-B1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LTD (GB) 2016-10-05 EP disclosed
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
EP-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 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 (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-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ HDAC1 1584/4885HDAC6 812/4885CYP3A4 704/4885

“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.