SCHEMBL10113716

SCHEMBL10113716

Cc1cc(=O)oc2cc(NC(=O)CCCCNS(=O)(=O)C(C)C)ccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.66
ALDH1A1 P00352 7/20 0.66
HPGD P15428 6/20 0.66
KMT2A Q03164 2/20 0.66
HSD17B10 Q99714 2/20 0.66
MEN1 O00255 1/20 0.66
GLA P06280 1/20 0.62
GAA P10253 1/20 0.62
RAB9A P51151 3/20 0.54
POLB P06746 1/20 0.54
CA12 O43570 6/20 0.54
CA9 Q16790 6/20 0.54
CA1 P00915 4/20 0.54
TDP1 Q9NUW8 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50

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
SCHEMBL10113447 0.87 KDM4E (0.67) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL11935347 0.84 CA9 (0.54) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL13439065 0.83 CA9 (0.55) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL12987557 0.82 KDM4E (0.78) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL29435303 0.82 KDM4E (0.78) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL10114433 0.82 ALDH1A1 (0.61) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL10381150 0.81 KDM4E (0.71) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL13370590 0.81 KDM4E (0.77) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL30579352 0.81 KDM4E (0.77) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL30607190 0.81 KDM4E (0.77) KDM4EALDH1A1HPGDKMT2AHSD17B10

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 KDM4E 1668/4885ALDH1A1 4558/4885HPGD 3487/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KDM4E 1627/4885ALDH1A1 4599/4885HPGD 3475/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KDM4E 1653/4885ALDH1A1 4517/4885HPGD 3476/4885

“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.