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SCHEMBL10115010

SCHEMBL10115010

Cc1csc(-c2ccc(NC(=O)[C@H]3CC[C@H](NS(=O)(=O)C(C)C)CC3)c(C)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.52
▸ HDAC2 Q92769 5/20 0.52
▸ HDAC3 O15379 4/20 0.52
▸ BRD4 O60885 2/20 0.41
▸ GSK3B P49841 2/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ GRIA2 P42262 4/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PABPC1 P11940 1/20 0.38
▸ APOBEC3A P31941 1/20 0.38
▸ EIF4H Q15056 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ CCR8 P51685 1/20 0.37
▸ ABL1 P00519 1/20 0.36

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
SCHEMBL10116162 0.85 HDAC1 (0.52) HDAC1HDAC2HDAC3NPC1RAB9A
SCHEMBL14627798 0.83 GRIA2 (0.37) HDAC1HDAC2HDAC3GRIA2
SCHEMBL13564910 0.82 GRIA2 (0.38) HDAC1HDAC2HDAC3BRD4GRIA2
SCHEMBL17090412 0.82 GRIA2 (0.38) HDAC1HDAC2HDAC3BRD4GRIA2
SCHEMBL14424629 0.80 NPY5R (0.49) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL10114847 0.80 NPY5R (0.49) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL14424387 0.79 GSK3A (0.45) GSK3BNPC1RAB9AGRIA2MEN1
SCHEMBL10114934 0.79 GSK3A (0.45) GSK3BNPC1RAB9AGRIA2MEN1
SCHEMBL13204440 0.77 GRIA2 (0.42) NPC1RAB9AGRIA2ALDH1A1CCR8
SCHEMBL10114994 0.77 GRIA2 (0.42) NPC1RAB9AGRIA2ALDH1A1CCR8

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-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

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 HDAC1 1995/4885HDAC2 1548/4885HDAC3 664/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC1 1703/4885HDAC2 1458/4885HDAC3 489/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC1 2021/4885HDAC2 1524/4885HDAC3 669/4885

“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.