SCHEMBL10114801

SCHEMBL10114801

CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2nnc(-c3ccccc3)s2)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.56
CSNK2A1 P68400 1/20 0.56
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
RECQL P46063 1/20 0.47
NPC1 O15118 6/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 4/20 0.45
TP53 P04637 3/20 0.45
THRB P10828 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MKNK1 Q9BUB5 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL14424631 0.89 CSNK2A2 (0.54) CSNK2A2CSNK2A1RAB9ASMN1; SMN2KDM4E
SCHEMBL10114864 0.89 CSNK2A2 (0.54) CSNK2A2CSNK2A1RAB9ASMN1; SMN2KDM4E
SCHEMBL10133429 0.85 CSNK2A2 (0.56) CSNK2A2CSNK2A1RAB9ASMN1; SMN2KDM4E
SCHEMBL10114426 0.85 CSNK2A2 (0.56) CSNK2A2CSNK2A1RAB9ASMN1; SMN2KDM4E
SCHEMBL10115953 0.84 NPY5R (0.52) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL14424624 0.81 MAPT (0.51) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL10114025 0.81 MAPT (0.51) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL10114826 0.81 MAPT (0.51) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL17090521 0.80 CA2 (0.41) MEN1KMT2ALMNA
SCHEMBL13204268 0.80 MAPT (0.56) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1

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 8 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-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

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 CSNK2A2 164/4885CSNK2A1 158/4885RAB9A 3699/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CSNK2A2 223/4885CSNK2A1 218/4885RAB9A 3651/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CSNK2A2 155/4885CSNK2A1 148/4885RAB9A 3820/4885

“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.