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SCHEMBL10116440

SCHEMBL10116440

CC1CCC(Oc2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)(C)C)cc3)cc2)C1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TRPV1 Q8NER1 2/20 0.41
▸ KMT2A Q03164 7/20 0.40
▸ MEN1 O00255 6/20 0.40
▸ LMNA P02545 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GALK1 P51570 1/20 0.39
▸ RAD51 Q06609 1/20 0.39
▸ ENPP3 O14638 1/20 0.39
▸ ENPP1 P22413 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC11 Q96DB2 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
SCHEMBL10116742 0.85 LMNA (0.43) SMN1; SMN2NPC1RAB9AALOX15TP53
SCHEMBL10114615 0.82 LMNA (0.53) SMN1; SMN2NPC1RAB9AALOX15TP53
SCHEMBL10116381 0.81 MAPT (0.52) SMN1; SMN2NPC1RAB9AALOX15TP53
SCHEMBL13566100 0.80 CA1 (0.39) NPC1RAB9AALOX15TP53KMT2A
SCHEMBL10116413 0.80 HRH3 (0.46) SMN1; SMN2NPC1RAB9AALOX15TP53
SCHEMBL10116450 0.80 HDAC3 (0.44) KMT2AMEN1LMNAALDH1A1HDAC3
SCHEMBL10116385 0.79 NR1H4 (0.55) SMN1; SMN2NPC1RAB9ATP53KMT2A
SCHEMBL10116453 0.79 NPC1 (0.45) SMN1; SMN2NPC1RAB9AALOX15TP53
SCHEMBL10116240 0.79 MEN1 (0.55) SMN1; SMN2NPC1RAB9AALOX15TP53
SCHEMBL10116423 0.78 MEN1 (0.44) SMN1; SMN2NPC1RAB9AALOX15TP53

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 SMN1; SMN2 2213/4885NPC1 1435/4885RAB9A 3699/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R SMN1; SMN2 2197/4885NPC1 1353/4885RAB9A 3651/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R SMN1; SMN2 2251/4885NPC1 1462/4885RAB9A 3820/4885

“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.