SCHEMBL10133335

SCHEMBL10133335

COc1cc2c3c(oc2cc1NC(=O)C1CCC(NS(=O)(=O)C(C)(C)C)CC1)C=CCC3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.40
▸ KDM4E B2RXH2 6/20 0.40
▸ TSHR P16473 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NPY5R Q15761 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KMT2A Q03164 5/20 0.34
▸ MAPT P10636 5/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ HPGD P15428 4/20 0.34
▸ LMNA P02545 3/20 0.34
▸ HTT P42858 3/20 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
SCHEMBL13203765 0.81 ALDH1A1 (0.59) ALDH1A1KDM4ETSHRSMN1; SMN2GAA
SCHEMBL10113210 0.81 ALDH1A1 (0.59) ALDH1A1KDM4ETSHRSMN1; SMN2GAA
SCHEMBL10114341 0.72 MAPT (0.56) ALDH1A1TSHRGAANPY5RL3MBTL1
SCHEMBL10133759 0.72 MAPT (0.56) ALDH1A1TSHRGAANPY5RL3MBTL1
SCHEMBL10113376 0.69 NPY5R (0.49) KDM4ETSHRSMN1; SMN2NPY5RL3MBTL1
SCHEMBL13203880 0.69 NPY5R (0.49) KDM4ETSHRSMN1; SMN2NPY5RL3MBTL1
SCHEMBL10114355 0.69 POLB (0.58) ALDH1A1SMN1; SMN2GAANPSR1NPY5R
SCHEMBL10133754 0.69 POLB (0.58) ALDH1A1SMN1; SMN2GAANPSR1NPY5R
SCHEMBL10114362 0.67 NPY5R (0.51) ALDH1A1KDM4ETSHRSMN1; SMN2NPSR1
SCHEMBL10133752 0.67 NPY5R (0.51) ALDH1A1KDM4ETSHRSMN1; SMN2NPSR1

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885KDM4E 1627/4885TSHR 189/4885

“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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