SCHEMBL4120987

SCHEMBL4120987

CN(C)Cc1c(OCc2ccc(C#N)cc2)ccc2c(CCC3CCN(Cc4ccco4)CC3)noc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 17/20 0.48
BCHE P06276 2/20 0.37
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL4133039 0.99 ACHE (0.47) ACHEBCHEMAOAMAOB
SCHEMBL4120498 0.90 ACHE (0.58) ACHEBCHE
Hydrochloric Acid SCHEMBL4125690 0.89 ACHE (0.57) ACHEBCHE
SCHEMBL13597362 0.89 ACHE (0.46) ACHEBCHEMAOAMAOB
SCHEMBL4115489 0.87 ACHE (0.46) ACHEBCHE
SCHEMBL4113004 0.87 ACHE (0.48) ACHEBCHEKDM4E
Dimethylamine SCHEMBL4120997 0.87 ACHE (0.49) ACHEBCHEMAOAMAOB
Hydrochloric Acid SCHEMBL4119038 0.87 ACHE (0.46) ACHEBCHE
Hydrochloric Acid SCHEMBL4129373 0.87 ACHE (0.47) ACHEBCHEMAOAMAOB
Dimethylamine SCHEMBL4133047 0.86 ACHE (0.48) ACHEBCHEMAOAMAOB

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 3 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
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 2215/4885MAOA 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.