SCHEMBL718007

SCHEMBL718007

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2nn(-c3cccc(OC)c3)cc2C)C2CCCCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPK1 P28482 2/20 0.37
CTSS P25774 1/20 0.36
SLC6A9 P48067 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
IDH1 O75874 1/20 0.34
FAAH O00519 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
SLC6A4 P31645 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL716814 0.93 SLC6A9 (0.38) MAPTALDH1A1MEN1KMT2ASLC6A9
SCHEMBL716518 0.93 ALDH1A1 (0.40) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL718452 0.91 MAPT (0.36) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL717775 0.90 MAPT (0.39) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL720989 0.89 MAPT (0.37) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL14905742 0.88 MAPT (0.36) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL716676 0.87 HPGD (0.35) MAPTALDH1A1MEN1KMT2AIDH1
SCHEMBL2669797 0.85 SLC6A9 (0.42) MAPTMEN1KMT2ASLC6A9OPRM1
SCHEMBL717215 0.84 RAB9A (0.37) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL718892 0.84 GCG (0.35) MAPTALDH1A1MEN1KMT2ASLC6A9

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 504/4885MEN1 444/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MAPT 4533/4885ALDH1A1 504/4885MEN1 444/4885

“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.