SCHEMBL13619982

SCHEMBL13619982

O=C(Nc1cc2c3c(c1)C(c1ccccc1)CCN3CCC2c1ccccc1)Oc1ccoc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
ACHE P22303 6/20 0.34
BCHE P06276 5/20 0.34
MAOB P27338 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
SCHEMBL2390941 0.88 ALDH1A1 (0.47) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL13619996 0.83 GAA (0.42) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL2391310 0.81 HTT (0.40) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL13625662 0.79 MAPT (0.43) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL2390032 0.78 OPRK1 (0.42) ALDH1A1KMT2AUSP2HPGDHTT
SCHEMBL2389189 0.78 LMNA (0.46) ALDH1A1MAPTKDM4EKMT2ALMNA
SCHEMBL8987949 0.78 BCHE (0.38) GAAALDH1A1MAPTKDM4ELMNA
SCHEMBL11995845 0.78 LMNA (0.46) ALDH1A1MAPTKDM4EKMT2ALMNA
SCHEMBL1411689 0.77 KDM1A (0.48) ALDH1A1MAPTMAOB
SCHEMBL13625551 0.77 BCHE (0.38) GAAALDH1A1MAPTKDM4EKMT2A

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-20090281322-A1 THERAPEUTICALLY USEFUL SUBSTITUTED 1,7-DIPHENYL-1,2,3,5,6,7-HEXAHYDROPYRIDO[3,2,1-Ij]QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2009-11-12 US disclosed
US-20090281322-A1 THERAPEUTICALLY USEFUL SUBSTITUTED 1,7-DIPHENYL-1,2,3,5,6,7-HEXAHYDROPYRIDO[3,2,1-Ij]QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2009-11-12 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-20090281322-A1 THERAPEUTICALLY USEFUL SUBSTITUTED 1,7-DIPHENYL-1,2,3,5,6,7-HEXAHYDROPYRIDO[3,2,1-Ij]QUINOLINE COMPOUNDS GOT1, GOT2, NDUFA7 GAA 547/4885ALDH1A1 153/4885MAPT 3809/4885

“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.