SCHEMBL4120895

SCHEMBL4120895

CN(C)Cc1c(COc2ccc(C#N)cc2)ccc2c(CCC3CCN(C(=O)O)CC3)noc12

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.41
KDM1A O60341 7/20 0.35
YAP1 P46937 1/20 0.34
BCHE P06276 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGER4 P35408 1/20 0.33

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
SCHEMBL4126653 0.91 ACHE (0.42) ACHEKDM1AYAP1BCHEPTGER4
SCHEMBL4126868 0.89 ACHE (0.42) ACHEKDM1ABCHE
SCHEMBL4128282 0.89 ACHE (0.39) ACHEKDM1AYAP1BCHEPTGER4
SCHEMBL4120942 0.87 ACHE (0.58) ACHEBCHE
SCHEMBL4122623 0.87 ACHE (0.37) ACHEKDM1A
SCHEMBL4112441 0.87 ACHE (0.42) ACHEKDM1AYAP1BCHE
Dimethylamine SCHEMBL4120902 0.87 ACHE (0.41) ACHEKDM1AYAP1BCHEPTGER4
Hydrochloric Acid SCHEMBL4120447 0.86 ACHE (0.57) ACHEBCHE
SCHEMBL4134379 0.85 ACHE (0.43) ACHEKDM1ABCHE
SCHEMBL4127217 0.84 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 3716/4885KDM1A 1437/4885YAP1 3743/4885

“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.