SCHEMBL10115487

SCHEMBL10115487

Cc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)c2c1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
GRIA1 P42261 3/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
HDAC3 O15379 5/20 0.38
HDAC1 Q13547 5/20 0.38
HDAC6 Q9UBN7 4/20 0.38
HDAC4 P56524 3/20 0.38
HDAC7 Q8WUI4 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC10 Q969S8 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC9 Q9UKV0 3/20 0.38
HDAC5 Q9UQL6 3/20 0.38

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
SCHEMBL10115348 0.84 ALDH1A1 (0.60) ALDH1A1LMNAMEN1THRATHRB
SCHEMBL10115374 0.84 ALDH1A1 (0.41) ALDH1A1GRIA1LMNAHDAC3HDAC1
SCHEMBL10115125 0.84 ALDH1A1 (0.43) ALDH1A1LMNAMEN1THRATHRB
SCHEMBL10115346 0.84 ALDH1A1 (0.41) ALDH1A1GRIA1LMNAMEN1THRA
SCHEMBL13565216 0.82 GRIA1 (0.49) GRIA1HTR1A
SCHEMBL10115476 0.77 HDAC3 (0.44) ALDH1A1GRIA1LMNATHRBHDAC3
SCHEMBL10115472 0.77 ALDH1A1 (0.37) ALDH1A1GRIA1LMNAHDAC3HDAC1
SCHEMBL10115342 0.76 HDAC1 (0.46) ALDH1A1GRIA1LMNAHDAC3HDAC1
SCHEMBL10115228 0.76 HDAC3 (0.47) ALDH1A1GRIA1MEN1KMT2AHDAC3
SCHEMBL10115367 0.76 HTR1A (0.46) ALDH1A1GRIA1LMNATHRBHDAC3

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 ALDH1A1 4558/4885GRIA1 278/4885LMNA 1925/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885GRIA1 251/4885LMNA 2068/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885GRIA1 277/4885LMNA 1857/4885

“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.