SCHEMBL10115380

SCHEMBL10115380

Cc1c(NC(=O)CCCCNS(=O)(=O)C(C)C)ccc2c1OCCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.41
HDAC1 Q13547 6/20 0.41
ALDH1A1 P00352 5/20 0.40
MTNR1A P48039 2/20 0.39
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 2/20 0.37
GRIA1 P42261 3/20 0.37
ADRA2A P08913 2/20 0.36
ADRA2C P18825 2/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 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

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
SCHEMBL10115323 0.92 HDAC3 (0.50) HDAC3HDAC1ALDH1A1LMNAGRIA1
SCHEMBL10115122 0.85 HDAC3 (0.41) HDAC3HDAC1ALDH1A1MTNR1ATP53
SCHEMBL11935798 0.84 GRIA1 (0.44) ALDH1A1HPGDGRIA1ADRA2AADRA2C
SCHEMBL10113891 0.80 RAB9A (0.63) ALDH1A1TP53HPGDRAB9ALMNA
SCHEMBL10115120 0.77 HDAC3 (0.50) HDAC3HDAC1ALDH1A1LMNAHDAC4
SCHEMBL10115316 0.76 LMNA (0.38) HDAC3HDAC1ALDH1A1MTNR1AHPGD
SCHEMBL10115346 0.76 ALDH1A1 (0.41) HDAC3HDAC1ALDH1A1LMNAGRIA1
SCHEMBL10115469 0.76 ALDH1A1 (0.41) HDAC3HDAC1ALDH1A1LMNAGRIA1
SCHEMBL10115470 0.75 ALDH1A1 (0.40) HDAC3HDAC1ALDH1A1RAB9ALMNA
SCHEMBL13565951 0.75 GRIA1 (0.44) HDAC3HDAC1ALDH1A1GRIA1

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 1995/4885ALDH1A1 4558/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC3 489/4885HDAC1 1703/4885ALDH1A1 4599/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC3 669/4885HDAC1 2021/4885ALDH1A1 4517/4885

“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.