SCHEMBL20438090

SCHEMBL20438090

CC(C)(C)OC(=O)NCc1cc(=O)c2cc(-c3cn(CCO)nn3)ccc2o1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.64
▸ ABCG2 Q9UNQ0 5/20 0.42
▸ ABCB1 P08183 1/20 0.39
▸ BCHE P06276 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.36
▸ MDM2 Q00987 1/20 0.35
▸ MAOB P27338 3/20 0.35
▸ HDAC3 O15379 3/20 0.34
▸ HDAC4 P56524 3/20 0.34
▸ HDAC1 Q13547 3/20 0.34
▸ HDAC7 Q8WUI4 3/20 0.34
▸ HDAC2 Q92769 3/20 0.34
▸ HDAC10 Q969S8 3/20 0.34
▸ HDAC11 Q96DB2 3/20 0.34
▸ HDAC8 Q9BY41 3/20 0.34
▸ HDAC6 Q9UBN7 3/20 0.34
▸ HDAC9 Q9UKV0 3/20 0.34
▸ HDAC5 Q9UQL6 3/20 0.34
▸ MTNR1A P48039 1/20 0.34

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
SCHEMBL20438087 0.89 LOXL2 (0.48) LOXL2BCHECNR2MTNR1AMTNR1B
SCHEMBL20438092 0.87 LOXL2 (0.48) LOXL2MAOBHDAC3HDAC4HDAC1
SCHEMBL20438091 0.87 LOXL2 (0.48) LOXL2ABCG2ABCB1BCHECNR2
SCHEMBL18397933 0.86 LOXL2 (0.72) LOXL2ABCG2ABCB1MAOBHDAC3
SCHEMBL20438089 0.84 LOXL2 (0.43) LOXL2BCHECNR2HDAC3HDAC1
SCHEMBL20438106 0.82 LOXL2 (0.40) LOXL2BCHECNR2P2RY14CA1
SCHEMBL18397869 0.79 LOXL2 (0.98) LOXL2ABCG2ABCB1
SCHEMBL20438078 0.79 PRMT5 (0.48) LOXL2BCHECNR2
SCHEMBL20438084 0.79 BCHE (0.46) LOXL2BCHECNR2
Hydrochloric Acid SCHEMBL18397882 0.79 LOXL2 (1.00) LOXL2ABCG2ABCB1

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 LOXL2 1/4885ABCG2 2772/4885ABCB1 2687/4885

“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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