SCHEMBL718353

SCHEMBL718353

COCc1nn(-c2cccc(OC)c2)cc1C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.52
MEN1 O00255 4/20 0.52
ALDH1A1 P00352 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 3/20 0.51
TP53 P04637 1/20 0.49
MAPT P10636 3/20 0.48
KLKB1 P03952 1/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 2/20 0.43
TSHR P16473 2/20 0.43
ATM Q13315 1/20 0.43
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CA12 O43570 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
SCHEMBL718881 0.90 KMT2A (0.52) KMT2AMEN1ALDH1A1L3MBTL1LMNA
SCHEMBL719452 0.86 L3MBTL1 (0.58) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL717852 0.85 MAPT (0.64) KMT2AMEN1ALDH1A1L3MBTL1LMNA
SCHEMBL718941 0.83 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1L3MBTL1LMNA
SCHEMBL721473 0.81 DGAT1 (0.50) KMT2AMEN1ALDH1A1L3MBTL1LMNA
SCHEMBL720453 0.80 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1L3MBTL1LMNA
SCHEMBL719685 0.80 HSD17B10 (0.59) KMT2AMEN1ALDH1A1LMNATP53
SCHEMBL720576 0.79 MEN1 (0.49) KMT2AMEN1ALDH1A1LMNATP53
SCHEMBL719984 0.77 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1L3MBTL1TP53
SCHEMBL27834207 0.76 MAPT (0.46) KMT2AMEN1ALDH1A1L3MBTL1LMNA

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 KMT2A 1298/4885MEN1 444/4885ALDH1A1 504/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KMT2A 1298/4885MEN1 444/4885ALDH1A1 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.