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SCHEMBL10116372

SCHEMBL10116372

CC1CC(C)c2cc(NC(=O)c3ccc(NS(=O)(=O)C(C)(C)C)cc3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.45
▸ RAB9A P51151 4/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ KDM4E B2RXH2 4/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ KCNK9 Q9NPC2 1/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ LMNA P02545 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC3 O15379 1/20 0.39

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
SCHEMBL10116326 0.84 HPGD (0.46) HPGDRAB9ANPSR1SMN1; SMN2NPC1
SCHEMBL10116662 0.83 HPGD (0.45) HPGDRAB9ANPSR1SMN1; SMN2NPC1
SCHEMBL10116282 0.81 HPGD (0.48) HPGDRAB9ANPSR1SMN1; SMN2NPC1
SCHEMBL10116354 0.81 HPGD (0.43) HPGDRAB9ANPSR1SMN1; SMN2NPC1
SCHEMBL10116240 0.80 MEN1 (0.55) RAB9ANPSR1SMN1; SMN2NPC1KDM4E
SCHEMBL10116349 0.77 MEN1 (0.49) HPGDRAB9ANPSR1SMN1; SMN2NPC1
SCHEMBL13565936 0.77 CA1 (0.37) HPGDSMN1; SMN2KDM4ECA1CA2
SCHEMBL10116200 0.77 NPC1 (0.59) HPGDRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL10116221 0.77 ADORA3 (0.64) HPGDRAB9ASMN1; SMN2NPC1CA1
SCHEMBL10116447 0.76 HDAC3 (0.47) NPSR1KDM4ECA1CA2MEN1

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 HPGD 3487/4885RAB9A 3699/4885NPSR1 7/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HPGD 3475/4885RAB9A 3651/4885NPSR1 8/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HPGD 3476/4885RAB9A 3820/4885NPSR1 7/4885

“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.