SCHEMBL10115083

SCHEMBL10115083

Cc1cc(C(F)(F)F)ccc1NC(=O)CCCCNS(=O)(=O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.46
HDAC8 Q9BY41 4/20 0.46
HDAC3 O15379 7/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
ALDH1A1 P00352 5/20 0.46
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
NCOR2 Q9Y618 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL10115342 0.85 HDAC1 (0.46) HDAC1HDAC8HDAC3HDAC2HDAC10
SCHEMBL10113642 0.83 ALDH1A1 (0.51) HDAC1HDAC6ALDH1A1MAPTLMNA
SCHEMBL14627726 0.83 HDAC3 (0.45) HDAC1HDAC8HDAC3HDAC2HDAC10
SCHEMBL13564919 0.82 MAPT (0.53) ALDH1A1MAPTLMNAPOLBL3MBTL1
SCHEMBL10115103 0.82 HDAC6 (0.63) HDAC1HDAC8HDAC3HDAC2HDAC10
SCHEMBL10115117 0.82 ALDH1A1 (0.41) HDAC1HDAC8HDAC3HDAC2HDAC10
SCHEMBL10115225 0.81 ALDH1A1 (0.45) HDAC1HDAC8HDAC3HDAC2HDAC10
SCHEMBL14627642 0.81 HDAC3 (0.50) HDAC1HDAC8HDAC3HDAC2HDAC10
SCHEMBL10114665 0.80 HDAC3 (0.42) HDAC1HDAC8HDAC3HDAC2HDAC10
SCHEMBL10115001 0.79 KMT2A (0.54) HDAC1HDAC3ALDH1A1POLBL3MBTL1

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 HDAC1 1995/4885HDAC8 706/4885HDAC3 664/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC1 1703/4885HDAC8 634/4885HDAC3 489/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC1 2021/4885HDAC8 743/4885HDAC3 669/4885

“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.