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SCHEMBL10113879

SCHEMBL10113879

CC(C)S(=O)(=O)NCCCCC(=O)NCc1ccc(-c2csnn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.44
▸ CTSD P07339 3/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NPY5R Q15761 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ ADAM17 P78536 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ STS P08842 1/20 0.37
▸ LTB4R2 Q9NPC1 1/20 0.37

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
SCHEMBL10113605 0.86 MGLL (0.44) MGLLCTSDKMT2APTPN1NPC1
SCHEMBL10113740 0.86 LMNA (0.49) MGLLKMT2ANPC1LMNAPKM
SCHEMBL17089983 0.84 PTPN1 (0.45) MGLLKMT2APTPN1PKMNPY5R
SCHEMBL10113877 0.79 HDAC1 (0.57) LMNAALDH1A1POLBUSP2
SCHEMBL17335700 0.78 MGLL (0.57) MGLLCTSDKMT2APTPN1NPC1
SCHEMBL17090341 0.78 NPY5R (0.49) MGLLKMT2ANPC1LMNAPKM
SCHEMBL10113758 0.76 ALDH1A1 (0.56) KMT2AALDH1A1POLBSTS
SCHEMBL10113761 0.76 STS (0.50) LMNAALDH1A1STS
SCHEMBL12882872 0.76 ALDH1A1 (0.37) KMT2ALMNAALDH1A1POLBUSP2
SCHEMBL10115505 0.76 HDAC3 (0.59) KMT2ALMNAALDH1A1POLBUSP2

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 10 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-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 (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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R MGLL 3543/4885CTSD 2315/4885KMT2A 2912/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MGLL 3650/4885CTSD 2259/4885KMT2A 2768/4885

“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.