SCHEMBL10113552

SCHEMBL10113552

CCN(CCNC(=O)CCCCNSC(C)(C)C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
GAA P10253 4/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 6/20 0.43
HSD17B10 Q99714 1/20 0.43
GFER P55789 2/20 0.43
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
TSHR P16473 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
SCHEMBL13203896 0.81 GFER (0.46) MAPTGAAKMT2AMEN1HTT
SCHEMBL10113801 0.76 GFER (0.46) MAPTGAAKMT2AMEN1HTT
SCHEMBL8978487 0.76 MEN1 (0.60) MAPTGAAKMT2AMEN1HTT
SCHEMBL9819666 0.75 KMT2A (0.63) MAPTGAAKMT2AMEN1HTT
SCHEMBL13972703 0.74 ALDH1A1 (0.57) GAAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL8394269 0.74 GAA (0.53) MAPTGAAKMT2AMEN1HTT
SCHEMBL12513507 0.73 KMT2A (0.65) MAPTGAAKMT2AMEN1HTT
SCHEMBL9180518 0.73 KMT2A (0.72) MAPTGAAKMT2AMEN1HTT
SCHEMBL8978503 0.72 MTNR1A (0.68) MAPTGAAKMT2AMEN1HTT
SCHEMBL13052671 0.70 GFER (0.60) MAPTGAAKMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3367/4885GAA 3316/4885KMT2A 2768/4885

“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.