SCHEMBL10114804

SCHEMBL10114804

CCc1cc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc2ccc(=O)oc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HDAC6 Q9UBN7 8/20 0.39
LMNA P02545 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA4 P22748 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
HTR1A P08908 1/20 0.36
HDAC3 O15379 4/20 0.36
HDAC4 P56524 4/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC7 Q8WUI4 4/20 0.36
HDAC2 Q92769 4/20 0.36

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
SCHEMBL10115410 0.89 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EHDAC6LMNA
SCHEMBL10114824 0.88 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM4EHDAC6LMNA
SCHEMBL13565932 0.85 NPY5R (0.41) ALDH1A1KDM4ECA12HTR1A
SCHEMBL10114433 0.83 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL10115062 0.77 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2KDM4EHDAC6LMNA
SCHEMBL10116546 0.76 KDM4E (0.41) ALDH1A1SMN1; SMN2KDM4ELMNANPC1
SCHEMBL10115051 0.75 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EHDAC6LMNA
SCHEMBL10115264 0.75 HDAC6 (0.62) ALDH1A1HDAC6LMNACA1CA2
SCHEMBL10115570 0.73 GSTO1 (0.43) ALDH1A1SMN1; SMN2HDAC6LMNANPC1
SCHEMBL12882398 0.73 HDAC6 (0.65) ALDH1A1SMN1; SMN2KDM4EHDAC6LMNA

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 4558/4885SMN1; SMN2 2213/4885KDM4E 1668/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885SMN1; SMN2 2197/4885KDM4E 1627/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885SMN1; SMN2 2251/4885KDM4E 1653/4885

“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.