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SCHEMBL10113178

SCHEMBL10113178

COc1ccc(CNC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.56
▸ KMT2A Q03164 2/20 0.55
▸ HTT P42858 1/20 0.55
▸ CNR1 P21554 2/20 0.55
▸ POLB P06746 2/20 0.52
▸ TRPV1 Q8NER1 1/20 0.51
▸ GRK2 P25098 1/20 0.51
▸ CNR2 P34972 1/20 0.51
▸ STS P08842 1/20 0.50
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ TSHR P16473 1/20 0.48

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
SCHEMBL12882346 0.85 LMNA (0.61) ALDH1A1KMT2AHTTPOLBCA12
SCHEMBL10113758 0.83 ALDH1A1 (0.56) ALDH1A1KMT2AHTTCNR1POLB
SCHEMBL10113494 0.83 STS (0.50) ALDH1A1TRPV1STS
SCHEMBL10115242 0.83 HDAC3 (0.60) KMT2ACA12CA1CA2CA9
SCHEMBL10113602 0.83 HDAC1 (0.57) ALDH1A1KMT2APOLBCA1CA2
SCHEMBL10113511 0.83 L3MBTL1 (0.68) ALDH1A1KMT2AHTTCNR1MEN1
SCHEMBL10113596 0.82 TRPV1 (0.48) ALDH1A1KMT2ATRPV1MEN1
SCHEMBL10113591 0.81 HDAC1 (0.53) KMT2ATRPV1MEN1
SCHEMBL11934728 0.81 CHRM2 (0.66) ALDH1A1KMT2AHTTCA12CA1
SCHEMBL10113604 0.81 L3MBTL1 (0.50) ALDH1A1KMT2AHTTCNR1MEN1

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 ALDH1A1 4558/4885KMT2A 2912/4885HTT 2081/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885KMT2A 2768/4885HTT 1904/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885KMT2A 2953/4885HTT 2095/4885

“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.