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SCHEMBL10115294

SCHEMBL10115294

Cc1c(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)ccc(-c2ccco2)c1C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.41
▸ LMNA P02545 2/20 0.39
▸ THRB P10828 1/20 0.38
▸ HDAC1 Q13547 7/20 0.37
▸ HDAC3 O15379 5/20 0.37
▸ HDAC2 Q92769 4/20 0.37
▸ HDAC6 Q9UBN7 3/20 0.37
▸ HDAC4 P56524 2/20 0.37
▸ HDAC7 Q8WUI4 2/20 0.37
▸ HDAC10 Q969S8 2/20 0.37
▸ HDAC11 Q96DB2 2/20 0.37
▸ HDAC8 Q9BY41 2/20 0.37
▸ HDAC9 Q9UKV0 2/20 0.37
▸ HDAC5 Q9UQL6 2/20 0.37
▸ GLO1 Q04760 1/20 0.34

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
SCHEMBL10115463 0.86 ALDH1A1 (0.41) ALDH1A1LMNATHRBHDAC1HDAC3
SCHEMBL13565915 0.84 GLO1 (0.37) ALDH1A1LMNAGLO1
SCHEMBL10115130 0.79 TAAR1 (0.53) ALDH1A1LMNATHRBHDAC1HDAC3
SCHEMBL10115339 0.77 HDAC6 (0.53) ALDH1A1LMNATHRBHDAC1HDAC3
SCHEMBL10115117 0.77 ALDH1A1 (0.41) ALDH1A1LMNAHDAC1HDAC3HDAC2
SCHEMBL10113529 0.74 RET (0.43) ALDH1A1THRB
SCHEMBL10115122 0.73 HDAC3 (0.41) ALDH1A1LMNAHDAC1HDAC3HDAC2
SCHEMBL10116406 0.73 ALDH1A1 (0.41) ALDH1A1LMNA
SCHEMBL10115120 0.73 HDAC3 (0.50) ALDH1A1LMNAHDAC1HDAC3HDAC2
SCHEMBL14627642 0.73 HDAC3 (0.50) ALDH1A1LMNAHDAC1HDAC3HDAC2

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 4558/4885LMNA 1925/4885THRB 414/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885LMNA 2068/4885THRB 417/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885LMNA 1857/4885THRB 409/4885

“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.