SCHEMBL10113613

SCHEMBL10113613

CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2c(c1)CC/C2=N\O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
BRAF P15056 3/20 0.39
RAB9A P51151 2/20 0.39
HDAC6 Q9UBN7 4/20 0.38
POLB P06746 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
NPC1 O15118 1/20 0.37
MAPK14 Q16539 1/20 0.37
PTPRC P08575 2/20 0.36
IKBKB O14920 1/20 0.36
PTPN13 Q12923 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 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
SCHEMBL10113550 0.87 BAZ2B (0.44) ALDH1A1LMNARAB9AHDAC6POLB
SCHEMBL10113887 0.86 ALDH1A1 (0.40) ALDH1A1LMNABRAFRAB9AHDAC6
SCHEMBL13565414 0.85 HTT (0.39) BRAFHTT
SCHEMBL10113627 0.81 MAPK1 (0.52) ALDH1A1LMNARAB9APOLBNPC1
SCHEMBL14424339 0.78 ALDH1A1 (0.42) ALDH1A1LMNARAB9AHDAC6HDAC3
SCHEMBL10115176 0.76 ALDH1A1 (0.42) ALDH1A1LMNARAB9AHDAC6POLB
SCHEMBL13370602 0.76 ALDH1A1 (0.48) ALDH1A1LMNARAB9AHDAC6HDAC3
SCHEMBL12864886 0.76 PTPRC (0.60) ALDH1A1RAB9APOLBNPC1PTPRC
SCHEMBL10115032 0.76 ALDH1A1 (0.53) ALDH1A1LMNAHDAC6HDAC3HDAC4
SCHEMBL10115008 0.75 L3MBTL1 (0.56) ALDH1A1LMNARAB9AHDAC6POLB

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 5 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-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-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 ALDH1A1 4558/4885LMNA 1925/4885BRAF 4445/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885LMNA 2068/4885BRAF 4341/4885

“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.