Sugi Predict

Sugi Predict / Compounds / SCHEMBL10113787

SCHEMBL10113787

SCHEMBL10113787

CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 9/20 0.58
▸ HDAC1 Q13547 9/20 0.58
▸ HDAC3 O15379 8/20 0.58
▸ HDAC2 Q92769 7/20 0.58
▸ HDAC8 Q9BY41 7/20 0.58
▸ HDAC4 P56524 6/20 0.58
▸ HDAC7 Q8WUI4 6/20 0.58
▸ HDAC10 Q969S8 6/20 0.58
▸ HDAC11 Q96DB2 6/20 0.58
▸ HDAC9 Q9UKV0 6/20 0.58
▸ HDAC5 Q9UQL6 6/20 0.58
▸ ALDH1A1 P00352 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ GRIA4 P48058 2/20 0.52
▸ NPC1 O15118 1/20 0.50
▸ MITF O75030 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL10115335 1.00 HDAC6 (0.58) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL10115297 0.92 HDAC6 (0.67) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL10113745 0.90 HDAC6 (0.61) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL10115393 0.88 ALDH1A1 (0.61) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL10113692 0.87 HDAC6 (0.59) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL10113691 0.86 ALDH1A1 (0.62) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL10115287 0.86 ALDH1A1 (0.58) HDAC6HDAC1HDAC3HDAC8ALDH1A1
SCHEMBL10113786 0.86 GRIA4 (0.52) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL10115528 0.86 ALDH1A1 (0.50) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL10115197 0.86 ALDH1A1 (0.68) HDAC6HDAC1HDAC3HDAC2HDAC8

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 HDAC6 1853/4885HDAC1 1995/4885HDAC3 664/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC6 1602/4885HDAC1 1703/4885HDAC3 489/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC6 1849/4885HDAC1 2021/4885HDAC3 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.