SCHEMBL10114724

SCHEMBL10114724

COc1ccc(Cl)cc1NC(=O)C1CCC(NS(=O)(=O)C(C)C)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
ALDH1A1 P00352 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
HCRTR1 O43613 1/20 0.48
HCRTR2 O43614 1/20 0.48
KCNT1 Q5JUK3 2/20 0.48
TSHR P16473 2/20 0.47
GAA P10253 1/20 0.47
STAT3 P40763 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
SCHEMBL13204306 1.00 MAPT (0.56) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL10133759 0.85 MAPT (0.56) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL10114341 0.85 MAPT (0.56) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL13204302 0.84 RAB9A (0.56) MAPTALDH1A1MEN1KMT2A
SCHEMBL10113996 0.84 RAB9A (0.56) MAPTALDH1A1MEN1KMT2A
SCHEMBL10115909 0.83 MAPT (0.68) MAPTALDH1A1MEN1KMT2AKCNT1
SCHEMBL10114736 0.83 SMN1; SMN2 (0.62) ALDH1A1TSHR
SCHEMBL13204311 0.83 SMN1; SMN2 (0.62) ALDH1A1TSHR
SCHEMBL10114754 0.81 POLB (0.58) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL13204304 0.81 POLB (0.58) MAPTALDH1A1MEN1KMT2AGAA

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 7 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-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 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 MAPT 3367/4885ALDH1A1 4599/4885MEN1 2932/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3683/4885ALDH1A1 4517/4885MEN1 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.