SCHEMBL10115097

SCHEMBL10115097

Cc1cc(N2CC(C)OC(C)C2C)ccc1NC(=O)CCCCNS(=O)(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 3/20 0.37
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
THRB P10828 1/20 0.35
GAA P10253 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.33
RORC P51449 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
SCHEMBL13204528 1.00 KMT2A (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1HDAC3
SCHEMBL10115012 0.88 KMT2A (0.45) KMT2AMEN1SMN1; SMN2ALDH1A1HDAC3
SCHEMBL13204592 0.88 KMT2A (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1HDAC3
SCHEMBL10115352 0.88 KMT2A (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1HDAC3
SCHEMBL13204529 0.87 KMT2A (0.42) KMT2AMEN1SMN1; SMN2ALDH1A1HDAC6
SCHEMBL10115200 0.87 KMT2A (0.42) KMT2AMEN1SMN1; SMN2ALDH1A1HDAC6
SCHEMBL13564934 0.87 NPY5R (0.33) KMT2AMEN1
SCHEMBL17090410 0.87 NPY5R (0.33) KMT2AMEN1
SCHEMBL10115196 0.87 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1HDAC6GAA
SCHEMBL10115147 0.85 KMT2A (0.36) KMT2AMEN1SMN1; SMN2ALDH1A1HDAC3

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 KMT2A 2768/4885MEN1 2932/4885SMN1; SMN2 2197/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2953/4885MEN1 2926/4885SMN1; SMN2 2251/4885

“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.