SCHEMBL10113598

SCHEMBL10113598

CC(C)(C)S(=O)(=O)NCCCCC(=O)NCc1ccnc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ KMT2A Q03164 3/20 0.40
▸ NPY1R P25929 1/20 0.39
▸ NPY5R Q15761 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ FAAH O00519 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ACKR3 P25106 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ATG4B Q9Y4P1 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ HDAC1 Q13547 3/20 0.38
▸ HDAC2 Q92769 3/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38

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
SCHEMBL10113867 0.85 ALDH1A1 (0.40) ALDH1A1LMNAPKMKMT2ANPY1R
SCHEMBL10113545 0.84 CA2 (0.44) LMNAKMT2ANPY5RMEN1
SCHEMBL13564777 0.83 SLC2A1 (0.45) NPY1RNPY5R
SCHEMBL10113593 0.82 ADORA2A (0.40) ALDH1A1LMNAPKMKMT2ANPY5R
SCHEMBL13972709 0.82 ATG4B (0.41) KMT2ACYP3A4FAAHMEN1ACKR3
SCHEMBL10113551 0.79 ALDH1A1 (0.57) ALDH1A1LMNAKMT2AMEN1HTT
SCHEMBL10113597 0.78 HDAC1 (0.64) ALDH1A1LMNAPKMKMT2AHDAC1
SCHEMBL13370339 0.78 CYP3A4 (0.54) KMT2ACYP3A4FAAHMEN1ATG4B
SCHEMBL10113528 0.78 ALDH1A1 (0.48) ALDH1A1LMNAHDAC1HDAC3HDAC6
SCHEMBL10113591 0.75 HDAC1 (0.53) PKMKMT2ANPY1RNPY5RMEN1

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 6 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-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 ALDH1A1 4558/4885LMNA 1925/4885PKM 4420/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885LMNA 2068/4885PKM 4271/4885

“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.

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