SCHEMBL4124707

SCHEMBL4124707

N#Cc1ccc(COc2ccc3c(CCC4CCN(C(=O)O)CC4)noc3c2CO)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.44
BCHE P06276 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
YAP1 P46937 1/20 0.35
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
PREP P48147 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
CHRM4 P08173 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
SCHEMBL4112441 0.91 ACHE (0.42) ACHEBCHEYAP1KDM1APREP
SCHEMBL4133717 0.91 ACHE (0.47) ACHEBCHECHRM4
SCHEMBL4120919 0.90 GPR119 (0.44) ACHEYAP1GPR119
SCHEMBL4119957 0.90 ACHE (0.48) ACHEBCHE
SCHEMBL4120880 0.90 ACHE (0.40) ACHEBCHEKDM1ACHRM4
SCHEMBL4129360 0.89 ACHE (0.41) ACHEBCHEYAP1KDM1APREP
SCHEMBL4122115 0.89 ACHE (0.42) ACHEBCHEPOLBPREPCHRM4
Dimethylamine SCHEMBL4112450 0.87 ACHE (0.42) ACHEBCHEKDM4EALDH1A1YAP1
SCHEMBL4132239 0.87 ACHE (0.40) ACHEBCHEKDM4EALDH1A1POLB
SCHEMBL4126653 0.86 ACHE (0.42) ACHEBCHEYAP1KDM1AGPR119

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 3716/4885BCHE 2215/4885KDM4E 3136/4885

“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.