SCHEMBL1391102

SCHEMBL1391102

COc1ccc(O)c(NC(=O)C(C)NC(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
HTT P42858 1/20 0.50
MTNR1A P48039 4/20 0.45
MTNR1B P49286 4/20 0.45
HSP90AA1 P07900 1/20 0.44
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
ACACB O00763 1/20 0.41
HDAC1 Q13547 1/20 0.41
F10 P00742 1/20 0.41
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 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
SCHEMBL15157686 0.89 MEN1 (0.50) MEN1KMT2AHTTHSP90AA1L3MBTL1
SCHEMBL1390968 0.89 MEN1 (0.47) MEN1KMT2AHTTMTNR1AMTNR1B
SCHEMBL7916871 0.83 KDM4E (0.50) MEN1KMT2AHTTHSP90AA1ABCB1
SCHEMBL1390875 0.82 KDM4E (0.53) MEN1KMT2AHTTABCB1ABCC1
SCHEMBL1390872 0.82 KDM4E (0.53) MEN1KMT2AHTTABCB1ABCC1
SCHEMBL2856689 0.82 LMNA (0.55) MEN1KMT2AHTTMTNR1AMTNR1B
SCHEMBL12432821 0.81 GAA (0.56) MEN1KMT2AHTTMAPK1NPC1
SCHEMBL10279987 0.81 IDO1 (0.52) MEN1KMT2AHTTHSP90AA1L3MBTL1
Hydrochloric Acid SCHEMBL1390814 0.80 IDO1 (0.51) MEN1KMT2AHTTHSP90AA1L3MBTL1
SCHEMBL12433224 0.80 PKM (0.41) MEN1KMT2AHTTABCB1ABCC1

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 MEN1 2828/4885KMT2A 1599/4885HTT 1901/4885

“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.