SCHEMBL4299490

SCHEMBL4299490

C=CCn1c(=O)sc2ncc(F)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.41
CYP3A4 P08684 1/20 0.34
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADORA2B P29275 3/20 0.31
ADORA2A P29274 1/20 0.31
ALDH1A1 P00352 5/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
NPC1 O15118 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TLR9 Q9NR96 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
PKM P14618 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL4299957 0.87 SHMT2 (0.31) SHMT2
SCHEMBL4294487 0.74 CYP3A4 (0.36) SHMT2CYP3A4KMT2ASMN1; SMN2ADORA2B
SCHEMBL4294512 0.72 GRIN1 (0.38)
SCHEMBL2687942 0.71 KCNH2 (0.41) CYP3A4ALDH1A1MAPTTDP1KDM4E
SCHEMBL8355924 0.67 SHMT2 (0.45) SHMT2CYP3A4KMT2ASMN1; SMN2ADORA2B
SCHEMBL3859045 0.66 ALDH1A1 (0.39) CYP3A4ALDH1A1MAPTTDP1KDM4E
SCHEMBL9838712 0.65 SHMT2 (0.41) SHMT2CYP3A4ALDH1A1MAPTRAB9A
SCHEMBL30945117 0.65 SHMT2 (0.41) SHMT2CYP3A4ALDH1A1MAPTRAB9A
SCHEMBL18898644 0.65 KAT2B (0.35) SMN1; SMN2ALDH1A1MAPTRAB9ATDP1
SCHEMBL9837609 0.64 SHMT2 (0.40) SHMT2CYP3A4ALDH1A1MAPTKDM4E

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-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-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP 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 SHMT2 1496/4885CYP3A4 704/4885KMT2A 2825/4885

“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.