SCHEMBL6450207

SCHEMBL6450207

N#CCN1Cc2cc(OCc3ccc(C(F)(F)F)cc3)ccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.56
MAOA P21397 6/20 0.56
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
SRD5A1 P18405 1/20 0.48
ADAM17 P78536 1/20 0.44
PTPN1 P18031 2/20 0.43
AR P10275 1/20 0.43
KCNH2 Q12809 1/20 0.42
MCHR1 Q99705 1/20 0.42

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
SCHEMBL5617536 0.83 ITGB3 (0.63) MAOBMAOAITGB3ITGA2BSRD5A1
SCHEMBL6468996 0.83 MAOB (0.54) MAOBMAOAITGB3ITGA2BSRD5A1
SCHEMBL3504992 0.76 MAOB (0.56) MAOBMAOAITGB3ITGA2BSRD5A1
SCHEMBL3504307 0.74 MAOB (0.54) MAOBMAOASRD5A1ARKCNH2
SCHEMBL6446421 0.74 ITGB3 (0.57) MAOBMAOAITGB3ITGA2BADAM17
SCHEMBL6470666 0.74 ITGB3 (0.72) MAOBMAOAITGB3ITGA2B
SCHEMBL5638876 0.74 MAOB (0.86) MAOBMAOASRD5A1
SCHEMBL27543696 0.73 MAOB (0.53) MAOBMAOAITGB3ITGA2BSRD5A1
SCHEMBL5617941 0.73 MAOB (0.53) MAOBMAOAITGB3ITGA2BSRD5A1
SCHEMBL6440777 0.72 MAOB (0.63) MAOBMAOASRD5A1PTPN1AR

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-6846832-B2 2,3-dihydro-isoindol-1-one derivatives HOFFMAN-LA ROCHE INC. (US) 2005-01-25 US disclosed
US-20040082603-A1 2,3-Dihydro-isoindol-1-one derivatives HOFFMANN-LA ROCHE INC. 2004-04-29 US 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-20040082603-A1 2,3-Dihydro-isoindol-1-one derivatives MAOB, MAOA, COMT MAOB 1/4885MAOA 2/4885ITGB3 3485/4885

“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.