SCHEMBL10115320

SCHEMBL10115320

Cc1c(N2C[C@@H](C)O[C@@H](C)C2)ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)c1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
USP2 O75604 1/20 0.34
HTR1A P08908 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL10133420 1.00 KMT2A (0.39) KMT2AMEN1SMN1; SMN2HDAC6HDAC3
SCHEMBL10115300 0.93 KMT2A (0.38) KMT2AMEN1SMN1; SMN2HDAC6HDAC3
SCHEMBL10115473 0.92 KMT2A (0.40) KMT2AMEN1SMN1; SMN2HDAC6ALDH1A1
SCHEMBL10115309 0.92 KMT2A (0.40) KMT2AMEN1SMN1; SMN2HDAC6ALDH1A1
SCHEMBL10133430 0.90 KMT2A (0.36) KMT2AMEN1SMN1; SMN2HDAC6HDAC3
SCHEMBL10114792 0.90 KMT2A (0.36) KMT2AMEN1SMN1; SMN2HDAC6HDAC3
SCHEMBL10133230 0.90 KMT2A (0.36) KMT2AMEN1SMN1; SMN2HDAC6HDAC3
SCHEMBL10134490 0.88 KMT2A (0.39) KMT2AMEN1SMN1; SMN2HDAC6HDAC3
SCHEMBL10115104 0.88 KMT2A (0.39) KMT2AMEN1SMN1; SMN2HDAC6HDAC3
SCHEMBL10133748 0.86 HDAC3 (0.46) KMT2AMEN1SMN1; SMN2HDAC3HDAC1

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 7 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
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 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 (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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R KMT2A 2912/4885MEN1 2876/4885SMN1; SMN2 2213/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2768/4885MEN1 2932/4885SMN1; SMN2 2197/4885

“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.