SCHEMBL4136735

SCHEMBL4136735

CC(C)(C)OC(=O)N1CCC(CCc2noc3c(CO)c(C(=O)NCc4ccc(F)cc4)ccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.48
LMNA P02545 3/20 0.42
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DNMT3A Q9Y6K1 1/20 0.40

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
SCHEMBL4114110 0.93 TP53 (0.47) TP53LMNATDP1MEN1TSHR
Dimethylamine SCHEMBL4114113 0.90 TP53 (0.48) TP53LMNATDP1MEN1TSHR
SCHEMBL4122961 0.90 TP53 (0.46) TP53LMNATDP1MEN1TSHR
SCHEMBL4126790 0.89 ACHE (0.39) TP53LMNAMEN1TSHRMAPK1
SCHEMBL4115154 0.87 KDM4E (0.45) TP53LMNAMEN1KMT2ANPSR1
SCHEMBL4121981 0.84 GPR119 (0.40) DNMT3A
SCHEMBL4129758 0.82 ACHE (0.40) TP53LMNAMEN1TSHRMAPK1
SCHEMBL4130392 0.82 LMNA (0.40) LMNA
SCHEMBL4131426 0.81 KDM4E (0.43) TP53LMNAMEN1KMT2A
SCHEMBL13597348 0.81 GPR119 (0.42)

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 TP53 4859/4885LMNA 3162/4885TDP1 4649/4885

“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.