SCHEMBL3425323

SCHEMBL3425323

Fc1cccc(COc2ccccc2CNCc2cccs2)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 2/20 0.52
GAA P10253 2/20 0.52
KDM4E B2RXH2 1/20 0.52
PLA2G1B P04054 1/20 0.52
MAPT P10636 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 1/20 0.49
TRPV6 Q9H1D0 1/20 0.48
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL3423780 0.86 CYP1A2 (0.55) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3427787 0.81 TDP1 (0.61) LMNAL3MBTL1TDP1GAA
SCHEMBL3425581 0.81 L3MBTL1 (0.76) L3MBTL1TDP1SMN1; SMN2MAPK1RAB9A
SCHEMBL3424095 0.76 LMNA (0.57) LMNAL3MBTL1ALDH1A1GAAKDM4E
SCHEMBL28039903 0.73 CYP3A4 (0.97) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL11919282 0.73 LMNA (0.64) LMNAL3MBTL1ALDH1A1GAAKDM4E
SCHEMBL6122059 0.72 CYP1A2 (0.66) LMNAL3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL6121761 0.72 CYP1A2 (0.66) LMNAL3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL21844358 0.72 GAA (0.60) LMNAL3MBTL1ALDH1A1GAAMAPT
SCHEMBL13388600 0.70 CYP1A2 (0.70) LMNAL3MBTL1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649005-B2 (R)(4-Pentyloxy-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine; monoamine oxidase inhibitors; neurological, psychiatric, cardiovascular, inflammatory, ophthalmic, urologic, metabolic and gastrointestinal diseases NEWRON PHARMACEUTICALS S.P.A. (IT) 2010-01-19 US claimed
US-20070135496-A1 Substituted benzylaminoalkylene heterocycles NEWRON PHARMACEUTICALS S.P.A. (IT) 2007-06-14 US claimed
EP-1673356-A1 SUBSTITUTED BENZYLAMINOALKYLENE HETEROCYCLES Newron Pharmaceuticals S.p.A. (IT) 2006-06-28 EP claimed
WO-2005040138-A1 SUBSTITUTED BENZYLAMINOALKYLENE HETEROCYCLES NEWRON PHARMACEUTICALS S.P.A. (IT) 2005-05-06 WO claimed
EP-1524267-A1 Substituted benzylaminoalkylene heterocycles Newron Pharmaceuticals S.p.A. (IT) 2005-04-20 EP claimed
US-7649005-B2 (R)(4-Pentyloxy-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine; monoamine oxidase inhibitors; neurological, psychiatric, cardiovascular, inflammatory, ophthalmic, urologic, metabolic and gastrointestinal diseases NEWRON PHARMACEUTICALS S.P.A. (IT) 2010-01-19 US disclosed
US-20070135496-A1 Substituted benzylaminoalkylene heterocycles NEWRON PHARMACEUTICALS S.P.A. (IT) 2007-06-14 US disclosed
EP-1673356-A1 SUBSTITUTED BENZYLAMINOALKYLENE HETEROCYCLES Newron Pharmaceuticals S.p.A. (IT) 2006-06-28 EP disclosed
WO-2005040138-A1 SUBSTITUTED BENZYLAMINOALKYLENE HETEROCYCLES NEWRON PHARMACEUTICALS S.P.A. (IT) 2005-05-06 WO disclosed
EP-1524267-A1 Substituted benzylaminoalkylene heterocycles Newron Pharmaceuticals S.p.A. (IT) 2005-04-20 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-20070135496-A1 Substituted benzylaminoalkylene heterocycles HTR7, MAOB, CYP2A7 LMNA 1894/4885L3MBTL1 3150/4885CYP1A2 124/4885

“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.