SCHEMBL4115154

SCHEMBL4115154

CC(C)(C)OC(=O)N1CCC(CCc2noc3c(CO)c(CNC(=O)c4ccc(F)cc4)ccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
TP53 P04637 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.39
THRB P10828 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL4131426 0.93 KDM4E (0.43) KDM4EPKMTP53SMN1; SMN2LMNA
Dimethylamine SCHEMBL4131431 0.90 KDM4E (0.44) KDM4EPKMTP53SMN1; SMN2LMNA
SCHEMBL4134365 0.90 KDM4E (0.40) KDM4EPKMTP53LMNAHDAC4
SCHEMBL4127400 0.89 ACHE (0.40) SMN1; SMN2LMNAHTT
SCHEMBL4136735 0.87 TP53 (0.48) TP53LMNAMEN1KMT2ANPSR1
SCHEMBL4130392 0.87 LMNA (0.40) KDM4EPKMSMN1; SMN2LMNAHTT
SCHEMBL4127297 0.84 KDM4E (0.41) KDM4EPKMGPR119
SCHEMBL4126753 0.83 ACHE (0.38) SMN1; SMN2LMNAHTT
SCHEMBL4122281 0.82 GPR119 (0.41) KDM4EPKMGPR119
SCHEMBL13596229 0.82 GPR119 (0.41) KDM4EPKMGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 EP 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-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 KDM4E 3136/4885PKM 2715/4885TP53 4859/4885

“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.