SCHEMBL3608805

SCHEMBL3608805

O=C(C=Cc1cccc(Br)n1)N1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
POLB P06746 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 6/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
LMNA P02545 3/20 0.44
MAPK1 P28482 1/20 0.44
TRPV1 Q8NER1 2/20 0.42
MITF O75030 1/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
MAOB P27338 1/20 0.40

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
SCHEMBL8175156 0.80 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2RAB9ANPC1POLB
SCHEMBL17868754 0.78 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2RAB9ANPC1POLB
SCHEMBL17868753 0.78 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2RAB9ANPC1POLB
SCHEMBL8171205 0.77 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2RAB9ANPC1POLB
SCHEMBL8164702 0.76 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2RAB9ANPC1POLB
SCHEMBL3614976 0.75 KDM4E (0.53) ALDH1A1RAB9AKDM4EHPGDLMNA
SCHEMBL3614973 0.75 KDM4E (0.53) ALDH1A1RAB9AKDM4EHPGDLMNA
SCHEMBL25690323 0.73 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2RAB9ANPC1POLB
SCHEMBL8171137 0.72 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2RAB9ANPC1POLB
SCHEMBL16026875 0.72 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2RAB9ANPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304438-B2 Heteroarylacrylamides and their use as pharmaceuticals SANOFI (FR) 2012-11-06 US disclosed
US-20100016272-A1 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
EP-2099753-A2 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2009-09-16 EP disclosed
EP-1939180-A1 Heteroarylacrylamides and their use as pharmaceuticals for the stimulation of the expression of endothelial NO synthase sanofi-aventis (FR) 2008-07-02 EP disclosed
WO-2008074413-A2 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FOR THE STIMULATION OF THE EXPRESSION OF ENDOTHELIAL NO SYNTHASE SANOFI-AVENTIS (FR) 2008-06-26 WO 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-20100016272-A1 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS NOS3, PTGIS, NOS1 ALDH1A1 2657/4885SMN1; SMN2 4638/4885RAB9A 1874/4885

“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.