SCHEMBL4126790

SCHEMBL4126790

O=C(NCc1ccc(F)cc1)c1ccc2c(CCC3CCN(C(=O)O)CC3)noc2c1CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.39
TP53 P04637 2/20 0.39
KMT2A Q03164 2/20 0.37
BCHE P06276 2/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37
TSHR P16473 2/20 0.36

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
SCHEMBL4129758 0.91 ACHE (0.40) ACHETP53KMT2ABCHETUBB4A
SCHEMBL4136735 0.89 TP53 (0.48) TP53KMT2ATSHRNPSR1LMNA
Dimethylamine SCHEMBL4129762 0.88 ACHE (0.41) ACHETP53KMT2ABCHETSHR
SCHEMBL4122704 0.87 TP53 (0.37) ACHETP53KMT2ABCHETUBB4A
SCHEMBL4127400 0.86 ACHE (0.40) ACHEBCHELMNAHTTSMN1; SMN2
SCHEMBL4114110 0.82 TP53 (0.47) TP53KMT2ATSHRNPSR1LMNA
SCHEMBL4121958 0.82 ACHE (0.53) ACHEBCHE
SCHEMBL4122115 0.82 ACHE (0.42) ACHEKMT2ABCHEMEN1
Hydrochloric Acid SCHEMBL4126763 0.81 ACHE (0.53) ACHEBCHE
SCHEMBL4124592 0.80 ACHE (0.40) ACHEBCHE

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 ACHE 3716/4885TP53 4859/4885KMT2A 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.