SCHEMBL10134522

SCHEMBL10134522

CCc1c(N2CC(C)OC(C)C2)ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)c1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
THRB P10828 1/20 0.38
KDM4E B2RXH2 4/20 0.38
LMNA P02545 3/20 0.38
CRHBP P24387 3/20 0.36
CRHR2 Q13324 3/20 0.36
RXFP1 Q9HBX9 1/20 0.35
MAPT P10636 2/20 0.35
USP30 Q70CQ3 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
NAMPT P43490 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL13204920 1.00 KMT2A (0.39) KMT2ATHRBKDM4ELMNACRHBP
SCHEMBL10116548 1.00 KMT2A (0.39) KMT2ATHRBKDM4ELMNACRHBP
SCHEMBL10116488 0.90 KMT2A (0.42) KMT2ATHRBKDM4ELMNACRHBP
SCHEMBL10134520 0.88 KMT2A (0.41) KMT2ATHRBKDM4ELMNACRHBP
SCHEMBL10116550 0.88 KMT2A (0.41) KMT2ATHRBKDM4ELMNACRHBP
SCHEMBL13204919 0.88 KMT2A (0.41) KMT2ATHRBKDM4ELMNACRHBP
SCHEMBL10116268 0.88 CRHBP (0.40) KMT2ATHRBKDM4ELMNACRHBP
SCHEMBL10133816 0.88 CRHBP (0.40) KMT2ATHRBKDM4ELMNACRHBP
SCHEMBL13565945 0.84 KDM4E (0.35) KMT2AKDM4ELMNACRHBPCRHR2
SCHEMBL17090470 0.84 KDM4E (0.35) KMT2AKDM4ELMNACRHBPCRHR2

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 4 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-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-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 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 (2 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2768/4885THRB 417/4885KDM4E 1627/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2953/4885THRB 409/4885KDM4E 1653/4885

“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.