SCHEMBL4829470

SCHEMBL4829470

Nc1ccc(OCc2nnco2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
MAOB P27338 8/20 0.44
RAB9A P51151 5/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAOA P21397 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 3/20 0.42
APP P05067 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.41
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TLR8 Q9NR97 1/20 0.35

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
SCHEMBL19186656 0.83 NPC1 (0.60) GAAMAOBRAB9AMAPTSMN1; SMN2
SCHEMBL18404750 0.82 RAB9A (0.51) RAB9AMAPTSMN1; SMN2L3MBTL1NPC1
SCHEMBL4829113 0.76 MAPT (0.55) MAOBMAPTNPC1
SCHEMBL14846356 0.74 SMN1; SMN2 (0.46) GAAMAOBRAB9AMAPTSMN1; SMN2
SCHEMBL21384500 0.72 RAB9A (0.46) MAOBRAB9AMAPTMAOAL3MBTL1
SCHEMBL4831448 0.71 GFER (0.52) MAOBRAB9AMAPTSMN1; SMN2MAOA
SCHEMBL655930 0.71 MAPT (0.46) GAAMAOBRAB9AMAPTSMN1; SMN2
SCHEMBL2095552 0.67
SCHEMBL655468 0.67 RAB9A (0.80) GAARAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL655929 0.67 MAPT (0.84) GAAMAOBRAB9AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509600-B1 THERAPEUTICALLY ACTIVE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CHARACTERIZED AS HAVING AN IDH MUTATION AGIOS PHARMACEUTICALS INC (US) 2017-08-02 EP disclosed
US-20170166541-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2017-06-15 US disclosed
US-20170166541-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2017-06-15 US disclosed
EP-2583965-B1 HETEROCYCLIC RING COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-01-25 EP disclosed
US-8937055-B2 Heterocyclic ring compound having muscle cell or adipocyte differentiation regulating action TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-20 US disclosed
US-20130296276-A2 HETEROCYCLIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-07 US disclosed
US-20130116214-A1 HETEROCYCLIC RING COMPOUND UJIKAWA OSAMU (JP) 2013-05-09 US disclosed
EP-2583965-A1 HETEROCYCLIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2013-04-24 EP disclosed
US-20130035329-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2013-02-07 US disclosed
US-20130035329-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2013-02-07 US disclosed
WO-2011072174-A1 THERAPEUTICALLY ACTIVE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CHARACTERIZED AS HAVING AN IDH MUTATION AGIOS PHARMACEUTICALS, INC. (US) 2011-06-16 WO disclosed
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US 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 (6 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-20170166541-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE MCL1, TP53, CD44 GAA 194/4885MAOB 3357/4885RAB9A 1957/4885
US-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 GAA 4645/4885MAOB 881/4885RAB9A 4059/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 GAA 4645/4885MAOB 881/4885RAB9A 4059/4885
US-20130035329-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE MCL1, TP53, CD44 GAA 194/4885MAOB 3357/4885RAB9A 1957/4885
US-20130116214-A1 HETEROCYCLIC RING COMPOUND FABP4, CPT1B, GPR119 GAA 1190/4885MAOB 3932/4885RAB9A 2276/4885
US-20130296276-A2 HETEROCYCLIC RING COMPOUND FABP4, CPT1B, GPR119 GAA 1190/4885MAOB 3932/4885RAB9A 2276/4885

“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.