SCHEMBL2312562

SCHEMBL2312562

CCOc1ccc(COc2ccc3oc(C(C)NC(N)=O)cc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 3/20 0.46
MAPT P10636 3/20 0.46
POLB P06746 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TAS1R3 Q7RTX0 5/20 0.43
TAS1R1 Q7RTX1 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL1390871 0.90 NPC1 (0.48) NPC1RAB9AMAPTPOLBALDH1A1
SCHEMBL1391115 0.88 NPC1 (0.47) NPC1RAB9AMAPTPOLBALDH1A1
SCHEMBL1390791 0.86 NPC1 (0.44) NPC1RAB9AMAPTPOLBALDH1A1
SCHEMBL1391226 0.85 NPC1 (0.49) NPC1RAB9AMAPTPOLBALDH1A1
SCHEMBL1391152 0.84 NPC1 (0.43) NPC1RAB9AMAPTPOLBALDH1A1
SCHEMBL1390715 0.83 HDAC8 (0.44) NPC1RAB9AMAPTPOLBALDH1A1
SCHEMBL1391022 0.82 NPC1 (0.45) NPC1RAB9AMAPTPOLBALDH1A1
SCHEMBL1390985 0.82 KMT2A (0.44) NPC1RAB9AMAPTPOLBALDH1A1
SCHEMBL1391350 0.82 MAOA (0.51) NPC1RAB9A
SCHEMBL1390566 0.80 FLT3 (0.48) MEN1BLMKMT2ATAS1R3TAS1R1

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
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB NPC1 978/4885RAB9A 3698/4885MAPT 3578/4885

“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.