SCHEMBL10115474

SCHEMBL10115474

CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(F)cc1F

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.56
HDAC1 Q13547 5/20 0.56
POLB P06746 2/20 0.49
RAB9A P51151 1/20 0.49
PKM P14618 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
TP53 P04637 1/20 0.46
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL10115228 0.85 HDAC3 (0.47) HDAC3HDAC1POLBALDH1A1TP53
SCHEMBL10115326 0.85 HDAC3 (0.53) HDAC3HDAC1RAB9APKMALDH1A1
SCHEMBL10115376 0.84 GRIA1 (0.45) HDAC3HDAC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL10115113 0.83 HDAC3 (0.56) HDAC3HDAC1POLBRAB9ANCOR2
SCHEMBL10113688 0.83 HDAC3 (0.56) HDAC3HDAC1POLBALDH1A1SMN1; SMN2
SCHEMBL13565169 0.81 GRIA1 (0.51) HDAC3HDAC1POLBPKMALDH1A1
SCHEMBL10115328 0.81 KMT2A (0.52) HDAC3HDAC1ALDH1A1NCOR2SMN1; SMN2
SCHEMBL10113797 0.80 MAPT (0.55) HDAC3HDAC1RAB9A
SCHEMBL15480431 0.80 POLB (0.66) HDAC3HDAC1POLBRAB9AALDH1A1
SCHEMBL10115499 0.80 GRIA1 (0.46) HDAC3HDAC1ALDH1A1LMNA

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 1995/4885POLB 4727/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC3 489/4885HDAC1 1703/4885POLB 4751/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC3 669/4885HDAC1 2021/4885POLB 4721/4885

“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.