SCHEMBL10115348

SCHEMBL10115348

CC(C)S(=O)(=O)NCCCCC(=O)Nc1cccc2c1CCCC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
LMNA P02545 4/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
THRA P10827 1/20 0.60
THRB P10828 1/20 0.60
L3MBTL1 Q9Y468 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 1/20 0.50
ATM Q13315 1/20 0.50
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL10115102 0.85 ALDH1A1 (0.60) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL10115487 0.84 ALDH1A1 (0.43) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL11941134 0.84 GRIA1 (0.47) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL10115346 0.84 ALDH1A1 (0.41) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL10115449 0.84 NPC1 (0.53) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL10115374 0.78 ALDH1A1 (0.41) ALDH1A1LMNAHDAC3HDAC1HDAC6
SCHEMBL28404830 0.78 LMNA (0.78) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL8271075 0.77 LMNA (0.62) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL10115326 0.77 HDAC3 (0.53) ALDH1A1L3MBTL1SMN1; SMN2TSHRHDAC3
SCHEMBL8273415 0.76 ALDH1A1 (0.60) ALDH1A1LMNAMEN1KMT2ATHRA

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 4558/4885LMNA 1925/4885MEN1 2876/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885LMNA 2068/4885MEN1 2932/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885LMNA 1857/4885MEN1 2926/4885

“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.