SCHEMBL10115093

SCHEMBL10115093

Cc1cc(N2CC(C)OC(C)C2)cc(C)c1NC(=O)CCCCNS(=O)(=O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
KCNQ2 O43526 7/20 0.39
HDAC6 Q9UBN7 1/20 0.38
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL13204526 1.00 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1KCNQ2HDAC6
SCHEMBL10115012 0.89 KMT2A (0.45) ALDH1A1KMT2AMEN1HDAC6USP2
SCHEMBL13204591 0.86 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1KCNQ2HDAC6
SCHEMBL10115363 0.86 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1KCNQ2HDAC6
SCHEMBL11935626 0.85 BRD4 (0.36) ALDH1A1KMT2AMEN1HDAC6
SCHEMBL11941031 0.85 BRD4 (0.36) ALDH1A1KMT2AMEN1HDAC6
SCHEMBL10115048 0.84 GAA (0.41) ALDH1A1KMT2AMEN1HDAC6USP2
SCHEMBL10113454 0.84 MAPT (0.48) ALDH1A1HDAC6USP2GAA
SCHEMBL10115047 0.84 MAPT (0.48) ALDH1A1HDAC6USP2GAA
SCHEMBL10113622 0.84 MAPT (0.48) ALDH1A1HDAC6USP2GAA

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 6 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-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 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 (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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885KMT2A 2768/4885MEN1 2932/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885KMT2A 2953/4885MEN1 2926/4885

“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.