SCHEMBL6425435

SCHEMBL6425435

COc1cc(NC(C)CCCNC(C)C)c2nccc(C)c2c1Oc1cc(C(F)(F)F)c(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 14/20 0.62
MAOB P27338 14/20 0.62
HSP90AA1 P07900 2/20 0.55
HSP90AB1 P08238 2/20 0.55
PABPC1 P11940 1/20 0.51
CASP7 P55210 1/20 0.51
CASP6 P55212 1/20 0.51
GSK3B P49841 1/20 0.46
ESR1 P03372 1/20 0.45
PGR P06401 1/20 0.45
HTR1A P08908 1/20 0.45
DRD1 P21728 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45
SLC6A3 Q01959 1/20 0.45
PRKD3 O94806 1/20 0.42
PRKCG P05129 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
SCHEMBL6380199 0.90 MAOA (0.76) MAOAMAOBGSK3BESR1PGR
SCHEMBL6385292 0.89 MAOA (0.65) MAOAMAOBHSP90AA1HSP90AB1PABPC1
SCHEMBL11071680 0.85 MAOA (0.68) MAOAMAOBHSP90AA1HSP90AB1PABPC1
SCHEMBL6380203 0.83 GSK3B (0.57) MAOAMAOBHSP90AA1HSP90AB1CASP7
Succinic Acid SCHEMBL11071592 0.80 MAOA (0.61) MAOAMAOBHSP90AA1HSP90AB1PABPC1
SCHEMBL4345333 0.74 MAOA (0.83) MAOAMAOBGSK3BESR1PGR
SCHEMBL4730492 0.74 MAOA (0.77) MAOAMAOBHSP90AA1HSP90AB1ESR1
SCHEMBL11064360 0.73 MAOA (0.88) MAOAMAOBGSK3BESR1PGR
SCHEMBL11066432 0.73 MAOA (1.00) MAOAMAOBGSK3BESR1PGR
SCHEMBL6380623 0.73 MAOA (1.00) MAOAMAOBGSK3BESR1PGR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0907363-A4 8-AMINOQUINOLINES UNIV MISSISSIPPI (US) 2005-04-06 EP claimed
US-20010007031-A1 8-AMINOQUINOLINES UNIVERSITY OF MIAMI, THE 2001-07-05 US claimed
EP-0907363-A1 8-AMINOQUINOLINES THE UNIVERSITY OF MISSISSIPPI (US) 1999-04-14 EP claimed
WO-1997036590-A1 8-AMINOQUINOLINES THE UNIVERSITY OF MISSISSIPPI (US) 1997-10-09 WO claimed

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-20010007031-A1 8-AMINOQUINOLINES CYP2C8, COQ8A, TUBA8 MAOA 963/4885MAOB 1272/4885HSP90AA1 4470/4885

“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.