SCHEMBL10113869

SCHEMBL10113869

COc1cc(CNC(=O)CCCCNS(=O)(=O)C(C)C)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.49
CYP3A4 P08684 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP2D6 P10635 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
BLM P54132 2/20 0.49
PMP22 Q01453 2/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TRPV1 Q8NER1 10/20 0.48
EPHX2 P34913 1/20 0.48
ALDH1A1 P00352 3/20 0.47
ALOX15 P16050 2/20 0.47
KDM1A O60341 1/20 0.47
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47
ALOX5 P09917 1/20 0.47

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
SCHEMBL10113903 0.85 ALDH1A1 (0.48) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL10113596 0.84 TRPV1 (0.48) CYP1A2CYP3A4MEN1KMT2ACYP2D6
SCHEMBL13105495 0.83 GRIA1 (0.49) MEN1KMT2AGAA
SCHEMBL10113758 0.82 ALDH1A1 (0.56) MEN1KMT2APOLBTSHRTRPV1
SCHEMBL13973089 0.81 EPHX2 (0.55) CYP1A2CYP3A4MEN1KMT2ACYP2D6
SCHEMBL10113809 0.81 ALDH1A1 (0.60) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL10113866 0.76 HDAC1 (0.53) MEN1KMT2ATRPV1EPHX2LMNA
SCHEMBL10113761 0.75 STS (0.50) TRPV1EPHX2ALDH1A1LMNAHSD17B10
SCHEMBL10113877 0.75 HDAC1 (0.57) POLBALDH1A1LMNAGAA
SCHEMBL11935087 0.75 GRIA1 (0.51) MEN1KMT2APOLBLMNAHTR2C

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 CYP1A2 1092/4885CYP3A4 1628/4885MEN1 2876/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CYP1A2 1230/4885CYP3A4 1677/4885MEN1 2932/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CYP1A2 1051/4885CYP3A4 1560/4885MEN1 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.