SCHEMBL4122704

SCHEMBL4122704

O=C(NCc1ccc(F)cc1)c1ccc2c(CCC3CCN(C(=O)O)CC3)noc2c1COC1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.37
ACHE P22303 3/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
BCHE P06276 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34

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
SCHEMBL4122961 0.92 TP53 (0.46) TP53KMT2ATSHRMEN1LMNA
SCHEMBL4126138 0.88 ACHE (0.35) ACHEKMT2ABCHEALDH1A1
SCHEMBL4126790 0.87 ACHE (0.39) TP53ACHEKMT2ATSHRMEN1
SCHEMBL4129758 0.85 ACHE (0.40) TP53ACHEKMT2ATSHRMEN1
SCHEMBL4127000 0.84 ACHE (0.35) ACHEBCHEALDH1A1
SCHEMBL4126879 0.82 ACHE (0.39) ACHEKMT2AMEN1BCHE
Dimethylamine SCHEMBL4129762 0.82 ACHE (0.41) TP53ACHEKMT2ATSHRMEN1
SCHEMBL4136735 0.80 TP53 (0.48) TP53KMT2ATSHRMEN1LMNA
SCHEMBL4116916 0.80 ACHE (0.37) ACHEKMT2AMEN1BCHE
SCHEMBL4121893 0.80 ACHE (0.37) ACHEKMT2AMEN1BCHE

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-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 4859/4885ACHE 3716/4885KMT2A 1211/4885

“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.