SCHEMBL10114830

SCHEMBL10114830

CC(C)c1ccc(N2C(=O)c3ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc3C2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
HPGD P15428 3/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTPRC P08575 3/20 0.41
PTPN13 Q12923 1/20 0.41
LMNA P02545 1/20 0.41
TERT O14746 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.39
BRD4 O60885 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL10115302 0.92 ALDH1A1 (0.55) ALDH1A1HPGDPOLBKDM4ESMN1; SMN2
SCHEMBL12882824 0.92 ALDH1A1 (0.43) ALDH1A1HPGDPOLBKDM4ESMN1; SMN2
SCHEMBL14418507 0.91 ALDH1A1 (0.43) ALDH1A1HPGDPOLBMEN1KMT2A
SCHEMBL10114626 0.90 ALDH1A1 (0.49) ALDH1A1HPGDPOLBMEN1KMT2A
SCHEMBL10134482 0.89 ALDH1A1 (0.43) ALDH1A1HPGDPOLBMEN1KMT2A
SCHEMBL10115067 0.89 ALDH1A1 (0.43) ALDH1A1HPGDPOLBMEN1KMT2A
SCHEMBL10115535 0.88 ALDH1A1 (0.43) ALDH1A1HPGDPOLBMEN1KMT2A
SCHEMBL13566016 0.85 GRIA1 (0.40) ALDH1A1HPGDPOLBNPSR1HTR1A
SCHEMBL10115397 0.85 ALDH1A1 (0.56) ALDH1A1HPGDPOLBKDM4ESMN1; SMN2
SCHEMBL10115330 0.84 ALDH1A1 (0.45) ALDH1A1HPGDKDM4ESMN1; SMN2PTPRC

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 9 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-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 3487/4885POLB 4727/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885HPGD 3475/4885POLB 4751/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885HPGD 3476/4885POLB 4721/4885

“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.