SCHEMBL10114993

SCHEMBL10114993

CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 7/20 0.53
HDAC1 Q13547 7/20 0.53
HTT P42858 1/20 0.51
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
HDAC2 Q92769 3/20 0.46
NCOR2 Q9Y618 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46

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
SCHEMBL10115152 0.86 ALDH1A1 (0.49) HDAC3HDAC1ALDH1A1HDAC2HDAC6
SCHEMBL10115001 0.85 KMT2A (0.54) HDAC3HDAC1ALDH1A1SMN1; SMN2GAA
SCHEMBL10115113 0.85 HDAC3 (0.56) HDAC3HDAC1HTTRAB9ANCOR2
SCHEMBL14627642 0.84 HDAC3 (0.50) HDAC3HDAC1ALDH1A1GAAHDAC2
SCHEMBL10115073 0.84 HDAC3 (0.47) HDAC3HDAC1ALDH1A1SMN1; SMN2GAA
SCHEMBL10115326 0.82 HDAC3 (0.53) HDAC3HDAC1HTTALDH1A1SMN1; SMN2
SCHEMBL10114989 0.82 HDAC6 (0.67) HDAC3HDAC1ALDH1A1HDAC2NCOR2
SCHEMBL11935545 0.80 L3MBTL1 (0.43) HDAC3HDAC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL10113508 0.80 HDAC6 (0.46) HDAC3HDAC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL13973101 0.80 ALDH1A1 (0.59) HDAC3HDAC1HTTALDH1A1SMN1; SMN2

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 11 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
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 (3 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 1995/4885HTT 2081/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC3 489/4885HDAC1 1703/4885HTT 1904/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC3 669/4885HDAC1 2021/4885HTT 2095/4885

“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.