SCHEMBL10133620

SCHEMBL10133620

CC1CN(c2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)C)cc3)c(F)c2)CC(C)O1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.40
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 1/20 0.39
FLT3 P36888 1/20 0.38
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
F10 P00742 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL13204903 1.00 KDM4E (0.41) KDM4EKMT2ATHRBMAPTRXFP1
SCHEMBL10116486 1.00 KDM4E (0.41) KDM4EKMT2ATHRBMAPTRXFP1
SCHEMBL10116489 0.90 THRB (0.43) KMT2ATHRBMAPTRXFP1LMNA
SCHEMBL10133534 0.87 CRHBP (0.42) KDM4EKMT2ATHRBMAPTRXFP1
SCHEMBL10116204 0.87 CRHBP (0.42) KDM4EKMT2ATHRBMAPTRXFP1
SCHEMBL10116505 0.86 MAPT (0.52) KDM4EKMT2ATHRBMAPTRXFP1
SCHEMBL10114527 0.86 MAPT (0.52) KDM4EKMT2ATHRBMAPTRXFP1
SCHEMBL10133455 0.86 MAPT (0.52) KDM4EKMT2ATHRBMAPTRXFP1
SCHEMBL10116488 0.86 KMT2A (0.42) KDM4EKMT2ATHRBMAPTRXFP1
SCHEMBL10133635 0.85 KMT2A (0.46) KDM4EKMT2ATHRBMAPTRXFP1

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 KDM4E 1627/4885KMT2A 2768/4885THRB 417/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KDM4E 1653/4885KMT2A 2953/4885THRB 409/4885

“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.