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SCHEMBL10113670

SCHEMBL10113670

CC(C)[S+]([O-])NCCCCC(=O)Nc1ccc(N(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 13/20 0.57
▸ HDAC3 O15379 10/20 0.57
▸ HDAC4 P56524 10/20 0.57
▸ HDAC7 Q8WUI4 10/20 0.57
▸ HDAC2 Q92769 10/20 0.57
▸ HDAC10 Q969S8 10/20 0.57
▸ HDAC11 Q96DB2 10/20 0.57
▸ HDAC8 Q9BY41 10/20 0.57
▸ HDAC6 Q9UBN7 10/20 0.57
▸ HDAC9 Q9UKV0 10/20 0.57
▸ HDAC5 Q9UQL6 10/20 0.57
▸ MAPT P10636 4/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ MAPK1 P28482 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ MCL1 Q07820 2/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ NFKB1 P19838 1/20 0.52

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
SCHEMBL13973255 0.85 HDAC4 (0.57) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL10113774 0.83 ALDH1A1 (0.42) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL10113379 0.83 HDAC1 (0.57) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL10113647 0.81 NPC1 (0.56) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL13565782 0.79 HDAC1 (0.38) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL10113792 0.77 NPC1 (0.51) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL22871621 0.76 HDAC3 (0.73) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL13972958 0.74 FURIN (0.36) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL14627718 0.73 HDAC8 (0.62) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL823580 0.73 HDAC1 (0.74) HDAC1HDAC3HDAC4HDAC7HDAC2

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-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 1995/4885HDAC3 664/4885HDAC4 1959/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC1 1703/4885HDAC3 489/4885HDAC4 1752/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC1 2021/4885HDAC3 669/4885HDAC4 1896/4885

“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.