SCHEMBL2853714

SCHEMBL2853714

COC(=O)c1ccc(OC)c(Oc2ccc(N)cn2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
BRCA1 P38398 1/20 0.46
HBB P68871 1/20 0.46
USP2 O75604 1/20 0.45
KLK3 P07288 1/20 0.45
NNMT P40261 1/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KEAP1 Q14145 1/20 0.43
ATM Q13315 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 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
SCHEMBL23797957 0.87 KEAP1 (0.49) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL3134874 0.86 MEN1 (0.53) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL2854283 0.81 MAPT (0.60) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL1589066 0.80 LMNA (0.65) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL3640462 0.78 KDM4E (0.64) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL2849366 0.76 MAPT (0.46) MAPTKMT2AMEN1KDM4EUSP2
SCHEMBL5357758 0.76 ABL1 (0.49) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL4745669 0.75 KDM4E (0.50) KMT2AMEN1KDM4EALDH1A1HSD17B10
Veratric Acid Methyl Ester SCHEMBL29573244 0.75 MAPT (0.86) MAPTKMT2AMEN1KDM4EALDH1A1
Veratric Acid Methyl Ester SCHEMBL2050732 0.75 MAPT (0.86) MAPTKMT2AMEN1KDM4EALDH1A1

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
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 US disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 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 (1 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-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 MAPT 4439/4885KMT2A 974/4885MEN1 627/4885

“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.