SCHEMBL10114890

SCHEMBL10114890

Cc1cc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)ccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
EPHX2 P34913 4/20 0.46
MEN1 O00255 2/20 0.44
NPY5R Q15761 1/20 0.41
GRIA2 P42262 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ULK1 O75385 1/20 0.41
KDR P35968 5/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
BRAF P15056 3/20 0.41

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
SCHEMBL14424635 1.00 KMT2A (0.46) KMT2AEPHX2MEN1NPY5RGRIA2
SCHEMBL10114908 0.89 EPHX2 (0.49) KMT2AEPHX2NPY5RGRIA2NPC1
SCHEMBL10114973 0.88 KMT2A (0.45) KMT2AEPHX2MEN1NPY5RGRIA2
SCHEMBL10114896 0.87 KMT2A (0.48) KMT2AEPHX2NPY5RKDRBRAF
SCHEMBL14424123 0.87 KMT2A (0.48) KMT2AEPHX2NPY5RKDRBRAF
SCHEMBL10114978 0.87 POLB (0.47) KMT2AEPHX2MEN1NPY5RGRIA2
SCHEMBL13204449 0.87 POLB (0.47) KMT2AEPHX2MEN1NPY5RGRIA2
SCHEMBL14424200 0.86 KMT2A (0.43) KMT2AEPHX2NPY5RGRIA2NPC1
SCHEMBL14418519 0.86 KMT2A (0.43) KMT2AEPHX2NPY5RGRIA2NPC1
SCHEMBL14424129 0.84 MAPT (0.48) KMT2AMEN1GRIA2NPC1ALDH1A1

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 9 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-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 2912/4885EPHX2 2158/4885MEN1 2876/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2768/4885EPHX2 2527/4885MEN1 2932/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2953/4885EPHX2 2306/4885MEN1 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.