SCHEMBL718452

SCHEMBL718452

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 2/20 0.35
NTSR1 P30989 1/20 0.35
CTSS P25774 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SLC6A9 P48067 1/20 0.33
IDH1 O75874 1/20 0.33
FAAH O00519 2/20 0.33
SLC6A4 P31645 1/20 0.33
UBE2N P61088 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL717775 0.92 MAPT (0.39) MAPTKMT2AALDH1A1MAPK1MEN1
SCHEMBL3403967 0.92 MEN1 (0.39) KMT2AALDH1A1MAPK1MEN1NTSR1
SCHEMBL720989 0.91 MAPT (0.37) MAPTKMT2AALDH1A1MAPK1MEN1
SCHEMBL718007 0.91 MAPT (0.38) MAPTKMT2AALDH1A1MAPK1MEN1
SCHEMBL14905742 0.90 MAPT (0.36) MAPTKMT2AALDH1A1MAPK1MEN1
SCHEMBL28945605 0.88 NTSR1 (0.36) MAPTKMT2AALDH1A1MEN1NTSR1
SCHEMBL717215 0.87 RAB9A (0.37) MAPTKMT2AALDH1A1MAPK1MEN1
SCHEMBL718892 0.87 GCG (0.35) MAPTKMT2AALDH1A1MEN1NTSR1
SCHEMBL720391 0.85 GCG (0.40) MAPTKMT2AALDH1A1MAPK1MEN1
SCHEMBL719861 0.85 SLC6A9 (0.41) MAPTKMT2AALDH1A1MEN1SLC6A9

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 4533/4885KMT2A 1298/4885ALDH1A1 504/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MAPT 4533/4885KMT2A 1298/4885ALDH1A1 504/4885

“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.