SCHEMBL3538784

SCHEMBL3538784

CC(C)(C)OC(=O)c1cc(F)c(C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
KMT2A Q03164 1/20 0.41
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
APP P05067 1/20 0.37
MAPK1 P28482 1/20 0.35
FPR2 P25090 1/20 0.32
SCN9A Q15858 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRA6 Q16445 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
P2RX3 P56373 1/20 0.32

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
SCHEMBL4796423 0.90 KEAP1 (0.41) LMNAKMT2AKEAP1NFE2L2APP
SCHEMBL3540349 0.82 KEAP1 (0.57) KEAP1NFE2L2APPGABRA1GABRG2
SCHEMBL6752553 0.80 KHK (0.43) LMNAKMT2AAPPMAPK1S1PR3
SCHEMBL23414465 0.78 S1PR3 (0.44) KMT2AKEAP1NFE2L2ATRS1PR3
SCHEMBL17784992 0.77 CASP1 (0.42) LMNAKMT2AKEAP1NFE2L2MAPT
SCHEMBL23413982 0.77 MAPT (0.40) LMNAKMT2AMAPTHPGDSMN1; SMN2
SCHEMBL30047495 0.75 MAPK1 (0.40) LMNAKMT2AKEAP1NFE2L2MAPK1
SCHEMBL23857325 0.75 MAPK1 (0.40) LMNAKMT2AKEAP1NFE2L2MAPK1
SCHEMBL30253346 0.74 MAPK1 (0.40) LMNAKMT2AKEAP1NFE2L2MAPK1
SCHEMBL3544099 0.73 LMNA (0.37) LMNAKMT2AAPPMAPK1FPR2

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-7829586-B2 Aryl-substituted nitrogen-containing heterocyclic compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-09 US disclosed
US-20090275617-A1 Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds MSD K.K. (JP) 2009-11-05 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-20090275617-A1 Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds OPRL1, NPSR1, NPBWR1 LMNA 3162/4885KMT2A 2608/4885KEAP1 1445/4885

“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.