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Sugi Predict / Compounds / SCHEMBL10115461

SCHEMBL10115461

SCHEMBL10115461

Cc1cc(C(=O)NC(C)C)c(C)c(C)c1NC(=O)CCCCNS(=O)(=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ GRIA1 P42261 3/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ FABP4 P15090 2/20 0.36
▸ LMNA P02545 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL10115292 0.88 ALDH1A1 (0.39) ALDH1A1KMT2AFABP4LMNAHDAC6
SCHEMBL13439365 0.86 GRIA1 (0.43) GRIA1FABP4POLBHTR1A
SCHEMBL14418583 0.84 ALDH1A1 (0.40) ALDH1A1GRIA1LMNAHDAC6HDAC3
SCHEMBL10115464 0.83 GRIA1 (0.42) ALDH1A1GRIA1KMT2AFABP4LMNA
SCHEMBL10115460 0.83 ALDH1A1 (0.39) ALDH1A1GRIA1FABP4LMNAHDAC6
SCHEMBL10115347 0.79 KDM4E (0.46) ALDH1A1HDAC6HDAC3HDAC4HDAC1
SCHEMBL10115476 0.77 HDAC3 (0.44) ALDH1A1GRIA1LMNAHDAC6HDAC3
SCHEMBL10115388 0.75 HDAC6 (0.45) ALDH1A1GRIA1FABP4LMNAHDAC6
SCHEMBL10115500 0.74 ALDH1A1 (0.49) ALDH1A1GRIA1KMT2ALMNAHDAC6
SCHEMBL10113896 0.73 MEN1 (0.49) ALDH1A1KMT2ALMNAHDAC6HDAC3

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 7 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-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 4558/4885GRIA1 278/4885KMT2A 2912/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885GRIA1 251/4885KMT2A 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.