SCHEMBL10115079

SCHEMBL10115079

CC(=O)c1cc2cc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)ccc2oc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.45
MAOA P21397 1/20 0.44
F12 P00748 6/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
NT5E P21589 2/20 0.41
CYP1A2 P05177 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HSD11B1 P28845 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
S1PR4 O95977 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MIF P14174 1/20 0.40

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
SCHEMBL10115279 0.87 MAOB (0.44) MAOBMAOAF12KDM4EALDH1A1
SCHEMBL13565219 0.87 KDM4E (0.47) MAOBMAOAF12KDM4EALDH1A1
SCHEMBL10114432 0.85 ALDH1A1 (0.61) KDM4EALDH1A1SMN1; SMN2CA12CA9
SCHEMBL12882048 0.78 MAOB (0.48) MAOBMAOAF12KDM4EALDH1A1
SCHEMBL10113496 0.76 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HDAC6LMNAMEN1
SCHEMBL10113447 0.76 KDM4E (0.67) KDM4EALDH1A1SMN1; SMN2CA12CA9
SCHEMBL10113440 0.76 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2CA12CA9HDAC6
SCHEMBL10113615 0.76 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2CYP1A2RAB9AHDAC6
SCHEMBL13370602 0.75 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CA12CA9CYP1A2
SCHEMBL10113626 0.75 SMN1; SMN2 (0.46) KDM4EALDH1A1SMN1; SMN2RAB9AHDAC6

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 MAOB 1153/4885MAOA 1264/4885F12 1449/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAOB 1152/4885MAOA 1282/4885F12 1918/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAOB 1144/4885MAOA 1277/4885F12 1477/4885

“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.