SCHEMBL10115443

SCHEMBL10115443

CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCCC2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 3/20 0.42
PKM P14618 2/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
HTR1A P08908 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL10115492 0.97 ALDH1A1 (0.43) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL10115153 0.86 SMN1; SMN2 (0.44) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL13566034 0.84 PKM (0.44) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL10113690 0.84 GAA (0.59) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL10115256 0.83 KDM4E (0.50) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL10113674 0.83 SMN1; SMN2 (0.59) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL10115167 0.83 ALDH1A1 (0.43) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL10113732 0.81 MAPT (0.46) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL13565864 0.81 USP2 (0.43) SMN1; SMN2MAPTALDH1A1LMNAPKM
SCHEMBL10115361 0.81 KDM4E (0.48) SMN1; SMN2MAPTKDM4EMEN1KMT2A

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 SMN1; SMN2 2213/4885MAPT 3602/4885KDM4E 1668/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R SMN1; SMN2 2197/4885MAPT 3367/4885KDM4E 1627/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R SMN1; SMN2 2251/4885MAPT 3683/4885KDM4E 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.