SCHEMBL20438101

SCHEMBL20438101

CC(C)(C)OC(=O)NCc1cc(=O)c2ccc(-c3cn(-c4ccccc4)nn3)cc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 7/20 0.43
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA4 P22748 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ GRM1 Q13255 1/20 0.40
▸ EGLN1 Q9GZT9 1/20 0.40
▸ OGT O15294 3/20 0.38
▸ HDAC3 O15379 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC10 Q969S8 2/20 0.37
▸ HDAC8 Q9BY41 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ STIM1 Q13586 2/20 0.37

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
SCHEMBL20438089 0.93 LOXL2 (0.43) P2RY14CA1CA2CA9CA12
SCHEMBL18397944 0.88 EGLN1 (0.42) CA1CA2CA9CA12EGLN1
SCHEMBL20438106 0.87 LOXL2 (0.40) P2RY14CA1CA2CA9CA12
SCHEMBL20438109 0.84 CA9 (0.52) CA1CA2CA9CA12CA4
SCHEMBL20438092 0.80 LOXL2 (0.48) EGLN1HDAC3HDAC1HDAC2HDAC10
SCHEMBL20438087 0.80 LOXL2 (0.48) P2RY14CA1CA2CA9CA12
SCHEMBL19249203 0.80 P2RY14 (0.43) P2RY14CA1CA2CA9CA12
SCHEMBL20438126 0.79 CA12 (0.38) CA1CA2CA9CA12BCHE
SCHEMBL18397886 0.79 LOXL2 (0.53) CA1CA2CA9CA12OGT
Hydrochloric Acid SCHEMBL18397934 0.78 LOXL2 (0.54) CA1CA2CA9CA12OGT

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-20180215727-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2018-08-02 — — US disclosed
US-20180215727-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2018-08-02 — — 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-20180215727-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX P2RY14 3079/4885CA1 4421/4885CA2 1849/4885

“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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