SCHEMBL10114448

SCHEMBL10114448

CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PTPRC P08575 5/20 0.44
LMNA P02545 2/20 0.44
PTPN13 Q12923 1/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 1/20 0.43
MMP13 P45452 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
SCHEMBL10115064 0.92 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2MAPTPTPRC
SCHEMBL10115065 0.90 ALDH1A1 (0.44) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL10115067 0.89 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL10115349 0.89 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2MAPTRXFP1
SCHEMBL12864840 0.87 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ALMNAHDAC6
SCHEMBL10114461 0.87 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2KMT2APTPRC
SCHEMBL10114626 0.86 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2MAPTRXFP1
SCHEMBL10115025 0.85 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2MAPTKMT2A
SCHEMBL13565702 0.85 ESR1 (0.40) ALDH1A1KDM4EMAPTRXFP1MEN1
SCHEMBL10115082 0.84 ALDH1A1 (0.44) ALDH1A1KDM4ESMN1; SMN2PTPRCLMNA

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 4558/4885KDM4E 1668/4885SMN1; SMN2 2213/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885KDM4E 1627/4885SMN1; SMN2 2197/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885KDM4E 1653/4885SMN1; SMN2 2251/4885

“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.