SCHEMBL2837900

SCHEMBL2837900

O=C(Nc1cc(CO)nn1-c1ccccc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.67
GRM5 P41594 8/20 0.65
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
LMNA P02545 3/20 0.53
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL16780330 0.87 ALDH1A1 (0.59) GAAGRM5MEN1KMT2ALMNA
SCHEMBL2838774 0.85 GAA (0.66) GAAGRM5MEN1KMT2ALMNA
SCHEMBL13858692 0.80 FAAH (0.51) GAAGRM5KMT2ALMNAALDH1A1
SCHEMBL12100316 0.80 GAA (0.70) GAAGRM5MEN1KMT2ALMNA
SCHEMBL2482825 0.79 GRM5 (1.00) GRM5LMNA
SCHEMBL13081626 0.79 GRM5 (0.55) GAAGRM5MEN1KMT2ALMNA
SCHEMBL2835908 0.78 GAA (0.67) GAAGRM5MEN1KMT2ALMNA
SCHEMBL2839406 0.77 GAA (0.60) GAALMNAALDH1A1
SCHEMBL17111104 0.76 NTRK1 (0.75)
SCHEMBL14132974 0.75 GRM5 (0.85) GRM5LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3162798-A1 5-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-05-03 EP disclosed
EP-2196459-B1 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-11-02 EP disclosed
US-8334301-B2 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-18 US disclosed
US-20100210696-A1 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-19 US disclosed
EP-2196459-A1 5-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-06-16 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-20100210696-A1 5-MEMBERED HETEROCYCLIC COMPOUND NPY4R, NPY5R, NPY1R GAA 1513/4885GRM5 509/4885MEN1 3284/4885

“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.