SCHEMBL10134019

SCHEMBL10134019

Cc1cc(=O)oc2cc(NC=O)ccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.62
▸ CA12 O43570 7/20 0.62
▸ CA9 Q16790 7/20 0.62
▸ CA1 P00915 4/20 0.62
▸ LMNA P02545 2/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ CA4 P22748 1/20 0.59
▸ KDM4E B2RXH2 9/20 0.56
▸ GAA P10253 6/20 0.56
▸ HPGD P15428 6/20 0.56
▸ GLA P06280 5/20 0.56
▸ HSD17B10 Q99714 5/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ PKM P14618 2/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ CASP1 P29466 2/20 0.55
▸ CASP7 P55210 2/20 0.55
▸ MAOB P27338 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55

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
SCHEMBL29738214 1.00 ALDH1A1 (0.62) ALDH1A1CA12CA9CA1LMNA
SCHEMBL19022033 0.88 ALDH1A1 (0.62) ALDH1A1CA12CA9CA1LMNA
SCHEMBL3361958 0.82 ALDH1A1 (0.68) ALDH1A1CA12CA9CA1LMNA
SCHEMBL29176757 0.82 ALDH1A1 (0.59) ALDH1A1CA12CA9CA1LMNA
SCHEMBL16316724 0.81 ALDH1A1 (0.66) ALDH1A1CA12CA9CA1LMNA
SCHEMBL16266302 0.81 ALDH1A1 (0.66) ALDH1A1CA12CA9CA1LMNA
SCHEMBL11227792 0.80 CA12 (0.72) ALDH1A1CA12CA9CA1KDM4E
Hydrochloric Acid SCHEMBL25373064 0.79 ALDH1A1 (0.64) ALDH1A1CA12CA9CA1LMNA
SCHEMBL20870224 0.79 ALDH1A1 (0.64) ALDH1A1CA12CA9CA1LMNA
SCHEMBL15607719 0.79 CA12 (0.76) ALDH1A1CA12CA9CA1LMNA

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-20210018497-A1 BRET SENSOR MOLECULES FOR DETECTING HYDROLASES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2021-01-21 — — US disclosed
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
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 — — EP 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 (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 4599/4885CA12 1954/4885CA9 1495/4885

“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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