SCHEMBL15899486

SCHEMBL15899486

CC(CC(=O)O)CC(=O)Nc1cccc(C#N)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.62
POLB P06746 1/20 0.60
LMNA P02545 2/20 0.60
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSD17B10 Q99714 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 2/20 0.53
TSHR P16473 1/20 0.52
ALDH1A1 P00352 5/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
HTT P42858 1/20 0.50
MCHR1 Q99705 1/20 0.49
DUSP3 P51452 1/20 0.48
PDK1 Q15118 1/20 0.48
PDK2 Q15119 1/20 0.48
PDK3 Q15120 1/20 0.48
PDK4 Q16654 1/20 0.48

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
SCHEMBL1706250 0.86 LMNA (0.62) RORCLMNAMAPK1SMN1; SMN2HSD17B10
SCHEMBL15899399 0.83 RORC (0.58) RORCPOLBLMNAMAPK1L3MBTL1
SCHEMBL934088 0.82 LMNA (0.67) POLBLMNAMAPK1SMN1; SMN2HSD17B10
SCHEMBL10931873 0.80 POLB (0.63) RORCPOLBLMNASMN1; SMN2HSD17B10
SCHEMBL15899387 0.77 RORC (1.00) RORCLMNASMN1; SMN2KMT2AMAPT
SCHEMBL15899329 0.77 RORC (0.66) RORCPOLBLMNAKMT2ATSHR
SCHEMBL4599065 0.76 LMNA (0.63) LMNAMAPK1SMN1; SMN2HSD17B10L3MBTL1
SCHEMBL31703086 0.76 LMNA (0.67) POLBLMNAMAPK1SMN1; SMN2HSD17B10
SCHEMBL4599032 0.76 MAPT (0.60) LMNAMAPK1SMN1; SMN2HSD17B10L3MBTL1
SCHEMBL4007314 0.76 LMNA (0.67) POLBLMNAMAPK1SMN1; SMN2HSD17B10

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-2759533-B1 CONDENSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-08-02 EP disclosed
US-9120776-B2 Condensed heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-01 US disclosed
US-20140228409-A1 CONDENSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-14 US disclosed
EP-2759533-A1 CONDENSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-07-30 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-20140228409-A1 CONDENSED HETEROCYCLIC COMPOUND RORC, RORB, RORA RORC 1/4885POLB 4330/4885LMNA 3565/4885

“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.