SCHEMBL910703

SCHEMBL910703

O=C1CCc2ccc(=O)n3cccc1c23

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.38
PBRM1 Q86U86 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
S100A4 P26447 1/20 0.36
CYP2A6 P11509 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CES1 P23141 1/20 0.34
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GRM5 P41594 1/20 0.32
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
MIF P14174 1/20 0.31
PKM P14618 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL29353311 0.64 MAOA (0.74) TYMSPBRM1CYP2A6MAOAMAOB
SCHEMBL1268680 0.64 MAOA (0.74) TYMSPBRM1CYP2A6MAOAMAOB
SCHEMBL24746 0.64 MAOA (0.74) TYMSPBRM1CYP2A6MAOAMAOB
SCHEMBL855431 0.62 MAOA (0.56) TYMSPBRM1MEN1KMT2AS100A4
SCHEMBL29385474 0.62 MAOA (0.56) TYMSPBRM1MEN1KMT2AS100A4
Benzene SCHEMBL28357254 0.62 MAOB (0.71) TYMSPBRM1CYP2A6MAOAMAOB
Hydrochloric Acid SCHEMBL28796491 0.62 MAOA (0.71) TYMSPBRM1CYP2A6MAOAMAOB
SCHEMBL16552853 0.62 MAOA (0.71) TYMSPBRM1CYP2A6MAOAMAOB
SCHEMBL31454252 0.62 MAOA (0.71) TYMSPBRM1CYP2A6MAOAMAOB
Bromide SCHEMBL28903594 0.62 MAOA (0.71) TYMSPBRM1CYP2A6MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009394-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2011-01-13 US claimed

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-20110009394-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS NRDC, NCL, NPM1 TYMS 119/4885PBRM1 1564/4885MEN1 2646/4885

“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.