SCHEMBL3425645

SCHEMBL3425645

Clc1cccc(COc2ccc(CNCc3nc4ccccc4[nH]3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.57
NPC1 O15118 6/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
POLB P06746 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
MAOB P27338 3/20 0.54
GID4 Q8IVV7 1/20 0.53
TP53 P04637 2/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL3422124 0.80 GID4 (0.54) SMN1; SMN2MAOBGID4KMT2AMEN1
SCHEMBL12200972 0.77 GAA (0.65) RAB9ANPC1SMN1; SMN2POLBTP53
SCHEMBL3427764 0.77 SMN1; SMN2 (0.69) SMN1; SMN2MAOBGID4KMT2AMEN1
SCHEMBL7686538 0.75 RAB9A (0.72) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL3424863 0.75 SMARCA2 (0.69) SMN1; SMN2MAOBGID4TP53KMT2A
SCHEMBL3428344 0.74 MAPK1 (0.70) SMN1; SMN2POLBTDP1MAOBGID4
SCHEMBL19583412 0.74 GAA (0.69) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL2245506 0.74 RAB9A (1.00) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL711507 0.73 PKM (0.71) RAB9ANPC1SMN1; SMN2POLBTP53
SCHEMBL31734838 0.73 PKM (0.71) RAB9ANPC1SMN1; SMN2POLBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 RAB9A 1487/4885NPC1 1404/4885SMN1; SMN2 2117/4885

“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.