SCHEMBL2835908

SCHEMBL2835908

O=Cc1cc(NC(=O)c2ccccc2)n(-c2ccccc2)n1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.67
GRM5 P41594 8/20 0.65
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.53

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
SCHEMBL12100316 0.80 GAA (0.70) GAAGRM5KMT2AMEN1LMNA
SCHEMBL2482825 0.79 GRM5 (1.00) GRM5LMNA
SCHEMBL18694618 0.78 NTRK1 (0.47) GAAKMT2ALMNA
SCHEMBL2837900 0.78 GAA (0.67) GAAGRM5KMT2AMEN1LMNA
SCHEMBL2841019 0.77 GAA (0.60) GAAKMT2AMEN1LMNA
SCHEMBL2838774 0.75 GAA (0.66) GAAGRM5KMT2AMEN1LMNA
SCHEMBL14132974 0.75 GRM5 (0.85) GRM5LMNA
SCHEMBL14132564 0.74 GRM5 (0.91) GRM5KMT2AMEN1LMNA
SCHEMBL15638724 0.73 GAA (0.60) GAAGRM5KMT2AMEN1LMNA
SCHEMBL2834738 0.72 ALDH1A1 (0.59) LMNA

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 509/4885KMT2A 4103/4885

“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.