SCHEMBL10115510

SCHEMBL10115510

COc1cc(NC(=O)CCCCNS(=O)(=O)C(C)C)ccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.46
LMNA P02545 4/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SIRT1 Q96EB6 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
GSTO1 P78417 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 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
SCHEMBL10115378 0.87 NPC1 (0.56) F2LMNAMAPTSMN1; SMN2TP53
SCHEMBL10115281 0.87 F2 (0.46) F2LMNAMAPTSMN1; SMN2TP53
SCHEMBL10115379 0.86 ALDH1A1 (0.46) LMNAHDAC1HDAC8GSTO1ALDH1A1
SCHEMBL10115412 0.86 GSTO1 (0.43) LMNAHDAC1HDAC8GSTO1ALDH1A1
SCHEMBL10115570 0.85 GSTO1 (0.43) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL13565644 0.85 GRIA1 (0.44) LMNAHTT
SCHEMBL10115533 0.84 AR (0.44) LMNAMAPTTP53HDAC1HDAC8
SCHEMBL10115238 0.84 F2 (0.46) F2LMNASMN1; SMN2NPC1RAB9A
SCHEMBL10115364 0.82 MEN1 (0.58) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10115537 0.82 GSTO1 (0.44) F2LMNATP53HDAC1HDAC8

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 F2 4595/4885LMNA 1925/4885MAPT 3602/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R F2 4713/4885LMNA 2068/4885MAPT 3367/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R F2 4612/4885LMNA 1857/4885MAPT 3683/4885

“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.