SCHEMBL10116740

SCHEMBL10116740

CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.64
HDAC6 Q9UBN7 3/20 0.64
HDAC3 O15379 2/20 0.64
HDAC11 Q96DB2 2/20 0.64
DEGS1 O15121 1/20 0.64
NAMPT P43490 1/20 0.52
MCHR1 Q99705 1/20 0.51
HDAC1 Q13547 1/20 0.49
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL10116668 0.85 NPC1 (0.56) LMNAKDM4EALDH1A1TP53MAPT
SCHEMBL10116705 0.85 PTPN1 (0.52) LMNAKDM4EMAPTSMN1; SMN2
SCHEMBL10116764 0.84 LMNA (0.47) HDAC8HDAC6HDAC3HDAC11DEGS1
SCHEMBL10116418 0.83 HDAC8 (0.64) HDAC8HDAC6HDAC3HDAC11DEGS1
SCHEMBL10116688 0.82 LMNA (0.48) LMNAKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL10116675 0.81 LMNA (0.58) LMNAKDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL10116661 0.81 LMNA (0.49) LMNAKDM4EALDH1A1TP53MAPT
SCHEMBL10116768 0.81 HDAC3 (0.44) HDAC8HDAC6HDAC3HDAC11DEGS1
SCHEMBL16022191 0.80 HDAC8 (0.76) HDAC8HDAC6HDAC3HDAC11DEGS1
SCHEMBL10116627 0.80 LMNA (0.56) NAMPTLMNAKDM4EALDH1A1TP53

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 HDAC8 706/4885HDAC6 1853/4885HDAC3 664/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC8 634/4885HDAC6 1602/4885HDAC3 489/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC8 743/4885HDAC6 1849/4885HDAC3 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.