SCHEMBL720453

SCHEMBL720453

COC(=O)c1cn(-c2cccc(OC)c2)nc1C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
KMT2A Q03164 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
MEN1 O00255 2/20 0.52
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.47
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.43
USP2 O75604 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL717648 0.86 L3MBTL1 (0.58) ALDH1A1KMT2AL3MBTL1MEN1MAPT
SCHEMBL718941 0.83 ALDH1A1 (0.55) ALDH1A1KMT2AL3MBTL1MEN1LMNA
SCHEMBL718881 0.80 KMT2A (0.52) ALDH1A1KMT2AL3MBTL1MEN1LMNA
SCHEMBL718353 0.80 KMT2A (0.52) ALDH1A1KMT2AL3MBTL1MEN1LMNA
SCHEMBL719895 0.77 MEN1 (0.50) ALDH1A1KMT2AMEN1LMNAHSD17B10
SCHEMBL720888 0.77 HSD17B10 (0.59) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL18039450 0.74 ELANE (0.48) ALDH1A1KMT2AL3MBTL1MEN1LMNA
SCHEMBL23024014 0.72 MEN1 (0.52) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL4296566 0.72 NPSR1 (0.61) ALDH1A1MAPTTP53KDM4EHPGD
SCHEMBL12800771 0.72 SMN1; SMN2 (0.62) ALDH1A1KMT2AL3MBTL1MEN1LMNA

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 ALDH1A1 504/4885KMT2A 1298/4885L3MBTL1 4088/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP ALDH1A1 504/4885KMT2A 1298/4885L3MBTL1 4088/4885

“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.