SCHEMBL3428344

SCHEMBL3428344

Clc1cccc(COc2ccc(CNCc3cccnc3)cc2)c1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.70
ALDH1A1 P00352 1/20 0.62
TP53 P04637 1/20 0.62
POLB P06746 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
MAOB P27338 2/20 0.57
GID4 Q8IVV7 1/20 0.57
HTT P42858 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
GRM5 P41594 1/20 0.55

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
SCHEMBL3427764 0.88 SMN1; SMN2 (0.69) MAPK1MAOBGID4HTTSMN1; SMN2
SCHEMBL31307732 0.84 MAPK1 (0.76) MAPK1ALDH1A1TP53POLBTDP1
SCHEMBL3424863 0.81 SMARCA2 (0.69) MAPK1ALDH1A1TP53MAOBGID4
SCHEMBL3424948 0.81 GID4 (0.53) MAPK1MAOBGID4HTTSMN1; SMN2
SCHEMBL3423723 0.81 GID4 (0.55) MAPK1MAOBGID4HTTSMN1; SMN2
SCHEMBL3427197 0.80 GID4 (0.54) MAPK1MAOBGID4HTTSMN1; SMN2
SCHEMBL3422124 0.80 GID4 (0.54) MAPK1MAOBGID4HTTSMN1; SMN2
SCHEMBL9937698 0.79 MAPK1 (0.73) MAPK1ALDH1A1TP53POLBTDP1
SCHEMBL5947102 0.79 MAPK1 (0.62) MAPK1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL3423334 0.78 GID4 (0.54) MAPK1MAOBGID4HTTSMN1; 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 MAPK1 1399/4885ALDH1A1 1490/4885TP53 4861/4885

“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.