SCHEMBL721473

SCHEMBL721473

CCOc1cccc(-n2cc(C(=O)OC)c(CC)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.50
NOTUM Q6P988 2/20 0.48
MAPT P10636 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
AURKA O14965 4/20 0.45
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.41

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 0.91 KMT2A (0.52) DGAT1MAPTALDH1A1KMT2AMEN1
SCHEMBL12265096 0.84 MAPT (0.64) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL718353 0.81 KMT2A (0.52) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL720432 0.80 L3MBTL1 (0.58) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL718451 0.77 NOTUM (0.59) DGAT1NOTUMMAPTALDH1A1KMT2A
SCHEMBL14905660 0.77 MAPT (0.42) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL719353 0.76 NOTUM (0.48) DGAT1NOTUMMAPTALDH1A1KMT2A
SCHEMBL718941 0.74 ALDH1A1 (0.55) NOTUMMAPTALDH1A1KMT2AMEN1
SCHEMBL717912 0.74 MAPT (0.45) DGAT1MAPTALDH1A1KMT2AMEN1
SCHEMBL717852 0.74 MAPT (0.64) MAPTALDH1A1KMT2AMEN1L3MBTL1

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 DGAT1 869/4885NOTUM 1954/4885MAPT 4533/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP DGAT1 869/4885NOTUM 1954/4885MAPT 4533/4885

“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.