SCHEMBL10113871

SCHEMBL10113871

CC(C)S(=O)(=O)NCCCCC(=O)NCc1ccc2ccccc2n1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 14/20 0.63
▸ HDAC2 Q92769 13/20 0.63
▸ CYP1A2 P05177 1/20 0.43
▸ CYSLTR2 Q9NS75 1/20 0.40
▸ CYSLTR1 Q9Y271 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ NPY5R Q15761 1/20 0.39

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
SCHEMBL10113597 0.86 HDAC1 (0.64) HDAC1HDAC2CYSLTR2CYSLTR1ALDH1A1
SCHEMBL13105496 0.83 GRIA1 (0.46) HDAC1HDAC2CYP1A2HDAC6NPY5R
SCHEMBL10113866 0.80 HDAC1 (0.53) HDAC1HDAC2LMNAPKMHDAC6
SCHEMBL10113817 0.78 SMN1; SMN2 (0.45) LMNA
SCHEMBL10113867 0.77 ALDH1A1 (0.40) HDAC1HDAC2ALDH1A1LMNAPKM
SCHEMBL933223 0.76 HDAC1 (0.64) HDAC1HDAC2CYP1A2ALDH1A1LMNA
SCHEMBL10113805 0.74 ALDH1A1 (0.48) HDAC1ALDH1A1LMNAHDAC6
SCHEMBL10113790 0.73 HDAC6 (0.74) HDAC1HDAC2LMNAHDAC6
SCHEMBL10113860 0.72 LMNA (0.61) HDAC1HDAC2ALDH1A1LMNAPKM
SCHEMBL20353962 0.72 CYP1A2 (0.61) HDAC1HDAC2CYP1A2CYSLTR1HDAC6

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 12 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
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 — — EP 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 HDAC1 1995/4885HDAC2 1548/4885CYP1A2 1092/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC1 1703/4885HDAC2 1458/4885CYP1A2 1230/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC1 2021/4885HDAC2 1524/4885CYP1A2 1051/4885

“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.

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