SCHEMBL8164702

SCHEMBL8164702

O=C(/C=C/c1cccc(-c2ccccc2F)n1)N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
RAB9A P51151 5/20 0.48
POLB P06746 3/20 0.48
NPC1 O15118 3/20 0.48
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 2/20 0.41
PKM P14618 1/20 0.41

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 0.83 ALDH1A1 (0.52) ALDH1A1RAB9APOLBNPC1KDM4E
SCHEMBL8171205 0.82 ALDH1A1 (0.52) ALDH1A1RAB9APOLBNPC1KDM4E
SCHEMBL3617010 0.76 ALDH1A1 (0.50) ALDH1A1RAB9APOLBNPC1KDM4E
SCHEMBL3608805 0.76 ALDH1A1 (0.50) ALDH1A1RAB9APOLBNPC1KDM4E
SCHEMBL8171137 0.75 ALDH1A1 (0.56) ALDH1A1RAB9APOLBNPC1KDM4E
SCHEMBL16026875 0.75 ALDH1A1 (0.56) ALDH1A1RAB9APOLBNPC1KDM4E
SCHEMBL17868754 0.74 ALDH1A1 (0.60) ALDH1A1RAB9APOLBNPC1KDM4E
SCHEMBL17868753 0.74 ALDH1A1 (0.60) ALDH1A1RAB9APOLBNPC1KDM4E
SCHEMBL3170023 0.73 ALDH1A1 (0.52) ALDH1A1RAB9APOLBNPC1KDM4E
SCHEMBL8176875 0.73 ALDH1A1 (0.52) ALDH1A1RAB9APOLBNPC1KDM4E

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 6 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-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
US-20100016272-A1 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US 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 2657/4885RAB9A 1874/4885POLB 1734/4885

“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.