SCHEMBL717775

SCHEMBL717775

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2cn(-c3cccc(OC)c3)nc2C)C2CCCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
SLC6A9 P48067 1/20 0.34
CTSS P25774 1/20 0.34
GCG P01275 1/20 0.34
IDH1 O75874 1/20 0.34
NTSR1 P30989 1/20 0.34
FAAH O00519 2/20 0.34
SLC6A4 P31645 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
UBE2N P61088 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL718892 0.94 GCG (0.35) MAPTALDH1A1KMT2AMEN1SLC6A9
SCHEMBL720989 0.93 MAPT (0.37) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL720391 0.93 GCG (0.40) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL14905742 0.92 MAPT (0.36) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL718452 0.92 MAPT (0.36) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL721260 0.92 CASP3 (0.38) MAPTALDH1A1GCGIDH1SLC6A4
SCHEMBL718007 0.90 MAPT (0.38) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL717215 0.89 RAB9A (0.37) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL719327 0.87 GCG (0.35) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL720562 0.87 GCG (0.41) MAPTSLC6A9GCGNTSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP 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 (2 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MAPT 4533/4885ALDH1A1 504/4885MAPK1 320/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MAPT 4533/4885ALDH1A1 504/4885MAPK1 320/4885

“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.