SCHEMBL10115192

SCHEMBL10115192

CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1cccc2nsnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
HPGD P15428 5/20 0.52
MAPT P10636 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
KDM4E B2RXH2 5/20 0.48
TSHR P16473 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TP53 P04637 1/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL10115336 0.85 ALDH1A1 (0.51) ALDH1A1HPGDMAPTL3MBTL1CYP1A2
SCHEMBL13564930 0.83 MEN1 (0.45) ALDH1A1HPGDMAPTL3MBTL1CYP1A2
SCHEMBL10113551 0.79 ALDH1A1 (0.57) ALDH1A1MAPTL3MBTL1SMN1; SMN2LMNA
SCHEMBL10114993 0.76 HDAC3 (0.53) ALDH1A1MAPTL3MBTL1SMN1; SMN2PKM
SCHEMBL10115102 0.75 ALDH1A1 (0.60) ALDH1A1HPGDL3MBTL1CYP1A2CYP2C19
SCHEMBL10115099 0.74 NPC1 (0.53) ALDH1A1LMNAKMT2AMEN1
SCHEMBL10115001 0.74 KMT2A (0.54) ALDH1A1HPGDL3MBTL1CYP1A2CYP2C9
SCHEMBL4857839 0.74 ALDH1A1 (0.61) ALDH1A1HPGDMAPTL3MBTL1CYP1A2
SCHEMBL10113508 0.74 HDAC6 (0.46) ALDH1A1MAPTCYP1A2CYP2C19SMN1; SMN2
SCHEMBL10113547 0.74 HTT (0.56) ALDH1A1HPGDMAPTL3MBTL1CYP2C19

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 ALDH1A1 4558/4885HPGD 3487/4885MAPT 3602/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885HPGD 3475/4885MAPT 3367/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885HPGD 3476/4885MAPT 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.