SCHEMBL3423447

SCHEMBL3423447

Clc1cccc(COc2cccc(CNCc3cccs3)c2)c1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.76
TDP1 Q9NUW8 1/20 0.76
MEN1 O00255 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
BCHE P06276 1/20 0.53
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
NR4A2 P43354 1/20 0.47

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
SCHEMBL3428392 0.90 L3MBTL1 (0.61) L3MBTL1TDP1BCHE
SCHEMBL3425581 0.85 L3MBTL1 (0.76) L3MBTL1TDP1MAPK1SMN1; SMN2BCHE
SCHEMBL3423780 0.81 CYP1A2 (0.55) L3MBTL1TDP1MEN1HTTKMT2A
SCHEMBL8829504 0.78 L3MBTL1 (0.67) L3MBTL1TDP1MEN1MAPK1HTT
Hydrochloric Acid SCHEMBL15238737 0.77 L3MBTL1 (0.70) L3MBTL1TDP1MEN1MAPK1HTT
SCHEMBL3427787 0.76 TDP1 (0.61) L3MBTL1TDP1BCHE
SCHEMBL9117138 0.75 BCHE (0.52) MEN1MAPK1HTTKMT2ASMN1; SMN2
SCHEMBL964037 0.74 SPHK2 (0.67) NPC1RAB9ANR4A2
SCHEMBL3423751 0.74 TDP1 (0.74) L3MBTL1TDP1MEN1MAPK1KMT2A
SCHEMBL5947384 0.73 BCHE (0.80) MEN1MAPK1HTTKMT2ASMN1; SMN2

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 L3MBTL1 3150/4885TDP1 3447/4885MEN1 2167/4885

“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.