SCHEMBL14477124

SCHEMBL14477124

CCOC(=O)C1=C(NCc2nnc(CN(C)CC(=O)OC)n2Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PLA2G7 Q13093 8/20 0.39
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ TRPM2 O94759 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ MDM2 Q00987 5/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL15804430 0.91 PLA2G7 (0.41) PLA2G7MAPTMDM2GPR119
SCHEMBL15692202 0.80 MAPT (0.40) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL14476743 0.79 MAPT (0.39) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL14476259 0.79 PLA2G7 (0.41) PLA2G7MAPTKDM4EALDH1A1MDM2
SCHEMBL14476256 0.78 PLA2G7 (0.40) PLA2G7MAPTKDM4EALDH1A1MDM2
SCHEMBL14476609 0.77 MEN1 (0.39) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL14476255 0.74 PLA2G7 (0.38) PLA2G7MAPTKDM4EALDH1A1MDM2
SCHEMBL17629541 0.74 KCNQ2 (0.48) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL14476262 0.73 PLA2G7 (0.51) PLA2G7TRPM2
SCHEMBL15654157 0.71 ROCK2 (0.40) MAPTTRPM2ALDH1A1MDM2

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-20140171431-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) 2014-06-19 — — US disclosed
WO-2013000108-A1 AZOLE HETEROCYLIC COMPOUNDS, PREPARATION METHODS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF 中国科学院上海药物研究所 (CN) 2013-01-03 — — WO 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-20140171431-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE PLA2G5, LTA4H, PLA2G4A PLA2G7 10/4885MAPT 4529/4885KDM4E 2615/4885

“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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