SCHEMBL10113210

SCHEMBL10113210

COc1cc2c(cc1NC(=O)C1CCC(NS(=O)(=O)C(C)(C)C)CC1)oc1ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.59
▸ KDM4E B2RXH2 10/20 0.59
▸ SMN1; SMN2 Q16637 6/20 0.59
▸ RAB9A P51151 4/20 0.59
▸ NPSR1 Q6W5P4 3/20 0.59
▸ GAA P10253 3/20 0.59
▸ NPC1 O15118 3/20 0.59
▸ TSHR P16473 2/20 0.59
▸ NFKB1 P19838 1/20 0.59
▸ NFKB2 Q00653 1/20 0.59
▸ RELA Q04206 1/20 0.59
▸ ATM Q13315 1/20 0.59
▸ MAPT P10636 15/20 0.53
▸ HPGD P15428 13/20 0.53
▸ KMT2A Q03164 9/20 0.53
▸ MEN1 O00255 8/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ POLB P06746 2/20 0.53

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 1.00 ALDH1A1 (0.59) ALDH1A1KDM4ESMN1; SMN2RAB9ANPSR1
SCHEMBL17090323 0.83 KDM4E (0.51) ALDH1A1KDM4ESMN1; SMN2RAB9ANPSR1
SCHEMBL13564745 0.83 KDM4E (0.51) ALDH1A1KDM4ESMN1; SMN2RAB9ANPSR1
SCHEMBL10133335 0.81 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2RAB9ANPSR1
SCHEMBL10133759 0.77 MAPT (0.56) ALDH1A1GAATSHRMAPTKMT2A
SCHEMBL10114341 0.77 MAPT (0.56) ALDH1A1GAATSHRMAPTKMT2A
SCHEMBL6228770 0.76 MAPT (0.70) ALDH1A1KDM4ESMN1; SMN2RAB9ANPSR1
SCHEMBL10133754 0.76 POLB (0.58) ALDH1A1SMN1; SMN2NPSR1GAAMAPT
SCHEMBL10114355 0.76 POLB (0.58) ALDH1A1SMN1; SMN2NPSR1GAAMAPT
SCHEMBL10114279 0.75 SMN1; SMN2 (0.57) ALDH1A1KDM4ESMN1; SMN2RAB9ANPSR1

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-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 — — 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-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

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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885KDM4E 1627/4885SMN1; SMN2 2197/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885KDM4E 1653/4885SMN1; SMN2 2251/4885

“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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