SCHEMBL6928495

SCHEMBL6928495

O=c1oc2c[c]ccc2cc1-c1cccs1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.68
MAOA P21397 1/20 0.58
TMIGD3 P0DMS9 4/20 0.52
ADORA2A P29274 3/20 0.52
ADORA1 P30542 2/20 0.52
MAPT P10636 7/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GPR35 Q9HC97 2/20 0.47
TP53 P04637 1/20 0.43
MIF P14174 1/20 0.43
PGR P06401 2/20 0.43
NR3C1 P04150 1/20 0.43
AR P10275 1/20 0.43
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL21496231 0.81 MAOB (1.00) MAOBMAOATMIGD3ADORA2AADORA1
SCHEMBL3396561 0.77 RAB9A (0.66) MAOBADORA2AADORA1MAPTKDM4E
SCHEMBL2224969 0.76 MAOB (0.69) MAOBMAOATMIGD3ADORA2AADORA1
SCHEMBL19832052 0.76 MAOB (0.80) MAOBMAOATMIGD3ADORA2AADORA1
SCHEMBL24240003 0.76 MAOB (0.69) MAOBMAOATMIGD3ADORA2AADORA1
SCHEMBL23747968 0.76 MAOB (0.69) MAOBMAOATMIGD3ADORA2AADORA1
SCHEMBL7585916 0.76 MAOB (0.69) MAOBMAOATMIGD3ADORA2AADORA1
SCHEMBL6931761 0.76 MAOB (0.69) MAOBMAOATMIGD3ADORA2AADORA1
SCHEMBL30349901 0.76 MAOB (0.69) MAOBMAOATMIGD3ADORA2AADORA1
SCHEMBL8116861 0.74 GPR35 (0.70) MAOBMAOATMIGD3ADORA2AADORA1

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-1204671-B1 FLUOROGENIC COMPOUNDS AND USES THEREFOR 3M INNOVATIVE PROPERTIES CO (US) 2003-12-03 EP disclosed
US-6566508-B2 Compound for use in the accurate detection of food parasites 3M INNOVATIVE PROPERTIES COMPANY 2003-05-20 US disclosed
US-20020147317-A1 Fluorogenic compounds and uses therefor 3M INNOVATIVE PROPETIES COMPANY 2002-10-10 US disclosed
EP-1204671-A1 FLUOROGENIC COMPOUNDS AND USES THEREFOR 3M Innovative Properties Company (US) 2002-05-15 EP disclosed
US-6372895-B1 USEFUL IN ASSAYING FOR BIOLOGICAL ACTIVITY 3M INNOVATIVE PROPERTIES COMPANY 2002-04-16 US disclosed
WO-2001010881-A1 FLUOROGENIC COMPOUNDS AND USES THEREFOR 3M INNOVATIVE PROPERTIES COMPANY (US) 2001-02-15 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-20020147317-A1 Fluorogenic compounds and uses therefor NOTUM, WEE1, CPSF7 MAOB 3070/4885MAOA 3210/4885TMIGD3 1950/4885

“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.