SCHEMBL16188965

SCHEMBL16188965

CCOC(=O)Cn1c(=O)oc2ccc(C(F)(F)F)cc21

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TP53 P04637 2/20 0.48
▸ TSPO P30536 1/20 0.48
▸ DRD1 P21728 1/20 0.47
▸ GRIN1 Q05586 2/20 0.47
▸ GRIN2B Q13224 2/20 0.47

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
SCHEMBL13099998 0.84 L3MBTL1 (0.53) KMOL3MBTL1MEN1ALDH1A1GAA
SCHEMBL16186527 0.84 L3MBTL1 (0.74) L3MBTL1MEN1ALDH1A1PKMKMT2A
SCHEMBL16176497 0.82 KMO (0.76) KMOCYP1A2CYP3A4CYP2C19TSPO
SCHEMBL25307601 0.81 L3MBTL1 (0.58) L3MBTL1MEN1ALDH1A1GAAPKM
SCHEMBL13099996 0.81 CDYL2 (0.64) KMOL3MBTL1TP53TSPO
SCHEMBL10444126 0.78 ALDH1A1 (0.64) L3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL29456233 0.75 KDM4E (0.48) ALDH1A1GRIN1GRIN2B
SCHEMBL3780636 0.75 KDM4E (0.48) ALDH1A1GRIN1GRIN2B
SCHEMBL12002100 0.74 KDM4E (0.51) L3MBTL1CYP1A2MEN1ALDH1A1KMT2A
SCHEMBL10621865 0.74 CBX7 (0.47) KMOMEN1KMT2ADRD1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708307-B2 Heterocyclic acetamide compound ASTELLAS PHARMA INC. (JP) 2017-07-18 — — US disclosed
US-20150045402-A1 HETEROCYCLIC ACETAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-02-12 — — US disclosed
US-8937087-B2 Heterocyclic acetamide compound ASTELLAS PHARMA INC. (JP) 2015-01-20 — — US disclosed
WO-2014171528-A1 HETEROCYCLIC ACETIC ACID AMIDE COMPOUND アステラス製薬株式会社 (JP) 2014-10-23 — — WO disclosed
US-20140315963-A1 HETEROCYCLIC ACETAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-10-23 — — 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-20140315963-A1 HETEROCYCLIC ACETAMIDE COMPOUND DRD1, DRD2, OPRD1 KMO 1970/4885L3MBTL1 2687/4885CYP1A2 1035/4885
US-20150045402-A1 HETEROCYCLIC ACETAMIDE COMPOUND DRD2, DRD1, OPRD1 KMO 2179/4885L3MBTL1 2901/4885CYP1A2 1542/4885

“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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