SCHEMBL4124708

SCHEMBL4124708

N#Cc1ccc(COc2ccc(CO)c3onc(CCC4CCN(C(=O)O)CC4)c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.38
YAP1 P46937 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
KDM1A O60341 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PREP P48147 1/20 0.34
CHRM4 P08173 3/20 0.33
GPR119 Q8TDV5 1/20 0.33
KDM5A P29375 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 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
SCHEMBL4136388 0.90 GPR119 (0.44) YAP1GPR119
SCHEMBL4122121 0.89 ACHE (0.39) ACHEPOLBPREPCHRM4KDM5A
SCHEMBL4124706 0.86 ACHE (0.37) ACHEALDH1A1ALOX15
SCHEMBL4124707 0.85 ACHE (0.44) ACHEYAP1MAOAMAOBKDM1A
SCHEMBL4124713 0.83 ACHE (0.40) ACHE
Dimethylamine SCHEMBL4112450 0.83 ACHE (0.42) ACHEYAP1MAOAMAOBKDM1A
SCHEMBL4122109 0.82 GRIN2B (0.39) ACHEMAOAMAOBALDH1A1
SCHEMBL4112441 0.80 ACHE (0.42) ACHEYAP1KDM1APREPCHRM4
SCHEMBL4122125 0.79 ACHE (0.42) ACHECHRM4
SCHEMBL4129360 0.79 ACHE (0.41) ACHEYAP1KDM1APREPCHRM4

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 3716/4885YAP1 3743/4885MAOA 1717/4885

“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.