SCHEMBL10114043

SCHEMBL10114043

COc1ccc(CCNC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
MEN1 O00255 2/20 0.64
ALDH1A1 P00352 8/20 0.61
TSHR P16473 3/20 0.61
KDM4E B2RXH2 1/20 0.61
MAPT P10636 1/20 0.61
GAA P10253 2/20 0.60
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL10114258 0.91 KMT2A (0.63) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL13203776 0.87 KMT2A (0.65) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL10133353 0.87 KMT2A (0.65) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL7838949 0.86 KMT2A (0.74) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL13565824 0.83 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL8098121 0.81 KMT2A (0.71) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL8747121 0.81 KMT2A (0.71) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL7279469 0.80 ALDH1A1 (0.71) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL7279475 0.80 ALDH1A1 (0.71) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL11735352 0.80 ALDH1A1 (0.72) KMT2AMEN1ALDH1A1TSHRKDM4E

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 KMT2A 2912/4885MEN1 2876/4885ALDH1A1 4558/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2768/4885MEN1 2932/4885ALDH1A1 4599/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2953/4885MEN1 2926/4885ALDH1A1 4517/4885

“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.