SCHEMBL10115336

SCHEMBL10115336

CC(C)S(=O)(=O)NCCCCC(=O)Nc1cccc2nsnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.51
▸ KDM4E B2RXH2 6/20 0.51
▸ MAPT P10636 4/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ PPARG P37231 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ NCOA2 Q15596 1/20 0.51
▸ NCOA1 Q15788 1/20 0.51
▸ NCOA3 Q9Y6Q9 1/20 0.51
▸ HPGD P15428 5/20 0.49
▸ L3MBTL1 Q9Y468 4/20 0.49
▸ GAA P10253 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ TSHR P16473 2/20 0.48

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
SCHEMBL10115192 0.85 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTNPSR1MEN1
SCHEMBL11941136 0.83 GRIA1 (0.45) ALDH1A1KDM4EMAPTNPSR1MEN1
SCHEMBL10113823 0.79 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTMEN1HTT
SCHEMBL10115326 0.76 HDAC3 (0.53) ALDH1A1MAPTHTTL3MBTL1GAA
SCHEMBL10115348 0.75 ALDH1A1 (0.60) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL10115449 0.74 NPC1 (0.53) ALDH1A1MEN1KMT2AHDAC6LMNA
SCHEMBL4857839 0.74 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTNPSR1MEN1
SCHEMBL10113773 0.74 HDAC6 (0.46) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL10113820 0.74 HTT (0.56) ALDH1A1KDM4EMEN1HTTKMT2A
SCHEMBL4861625 0.74 ALDH1A1 (0.64) ALDH1A1KDM4EMAPTNPSR1MEN1

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 4558/4885KDM4E 1668/4885MAPT 3602/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885KDM4E 1627/4885MAPT 3367/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885KDM4E 1653/4885MAPT 3683/4885

“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.

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