SCHEMBL10113797

SCHEMBL10113797

CC(C)S(=O)(=O)NCCCCC(=O)Nc1cccnc1Oc1ccc(F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
P2RY1 P47900 7/20 0.49
CARM1 Q86X55 2/20 0.47
PRMT6 Q96LA8 1/20 0.47
HDAC3 O15379 6/20 0.45
HDAC1 Q13547 5/20 0.45
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
HDAC6 Q9UBN7 2/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL10113525 0.88 MAPT (0.55) MAPTP2RY1CARM1PRMT6HDAC3
SCHEMBL17089980 0.86 MAPT (0.49) MAPTP2RY1CARM1PRMT6
SCHEMBL13973209 0.84 MAPT (0.64) MAPTP2RY1CARM1PRMT6HDAC3
SCHEMBL10115474 0.80 HDAC3 (0.56) HDAC3HDAC1RAB9A
SCHEMBL10115326 0.76 HDAC3 (0.53) MAPTHDAC3HDAC1HDAC6NPC1
SCHEMBL13204042 0.74 MAPT (0.54) MAPTP2RY1CARM1PRMT6NPC1
SCHEMBL10113823 0.74 ALDH1A1 (0.57) MAPTHDAC3HDAC6RAB9A
SCHEMBL13565656 0.73 MAPT (0.49) MAPTP2RY1CARM1PRMT6
SCHEMBL10115238 0.73 F2 (0.46) NPC1RAB9A
SCHEMBL10115376 0.73 GRIA1 (0.45) HDAC3HDAC1HDAC6

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 MAPT 3602/4885P2RY1 463/4885CARM1 1426/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3367/4885P2RY1 477/4885CARM1 1327/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3683/4885P2RY1 467/4885CARM1 1431/4885

“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.