SCHEMBL10115040

SCHEMBL10115040

C[C@@H]1CN(c2cc(F)ccc2NC(=O)CCCCNS(=O)(=O)C(C)(C)C)C[C@H](C)O1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 8/20 0.46
HDAC1 Q13547 7/20 0.46
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NCOR2 Q9Y618 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
WDR5 P61964 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL10133498 1.00 HDAC3 (0.46) HDAC3HDAC1KMT2AMEN1SMN1; SMN2
SCHEMBL10115290 0.87 HDAC3 (0.46) HDAC3HDAC1KMT2AMEN1SMN1; SMN2
SCHEMBL10133748 0.87 HDAC3 (0.46) HDAC3HDAC1KMT2AMEN1SMN1; SMN2
SCHEMBL10134490 0.86 KMT2A (0.39) HDAC3HDAC1KMT2AMEN1SMN1; SMN2
SCHEMBL10115104 0.86 KMT2A (0.39) HDAC3HDAC1KMT2AMEN1SMN1; SMN2
SCHEMBL17090546 0.86 NPY5R (0.35) KMT2AMEN1ALDH1A1WDR5
SCHEMBL13565988 0.86 NPY5R (0.35) KMT2AMEN1ALDH1A1WDR5
SCHEMBL10134416 0.85 HDAC3 (0.39) HDAC3HDAC1KMT2AMEN1SMN1; SMN2
SCHEMBL10114455 0.85 HDAC3 (0.39) HDAC3HDAC1KMT2AMEN1SMN1; SMN2
SCHEMBL10115053 0.85 KMT2A (0.40) KMT2AMEN1SMN1; SMN2ALDH1A1HDAC6

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 HDAC3 664/4885HDAC1 1995/4885KMT2A 2912/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC3 489/4885HDAC1 1703/4885KMT2A 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.