SCHEMBL3615261

SCHEMBL3615261

O=C(C=CN1CCCCC1)c1ccc(-c2ccccc2OC(F)(F)F)o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
L3MBTL1 Q9Y468 4/20 0.60
HPGD P15428 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
MAPK1 P28482 4/20 0.41
LMNA P02545 2/20 0.41
EP300 Q09472 1/20 0.41
HTT P42858 1/20 0.41
USP2 O75604 1/20 0.40
PKM P14618 1/20 0.40
S1PR1 P21453 1/20 0.39
DPP4 P27487 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
ABCB1 P08183 1/20 0.39

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
SCHEMBL3613648 0.83 LMNA (0.55) ALDH1A1L3MBTL1HPGDTDP1KDM4E
SCHEMBL3875107 0.77 ALDH1A1 (0.77) ALDH1A1L3MBTL1HPGDTDP1KDM4E
SCHEMBL29941707 0.77 ALDH1A1 (0.77) ALDH1A1L3MBTL1HPGDTDP1KDM4E
SCHEMBL3615262 0.76 ALDH1A1 (0.57) ALDH1A1L3MBTL1HPGDKDM4EMAPT
SCHEMBL8164641 0.76 ALDH1A1 (0.57) ALDH1A1L3MBTL1HPGDKDM4EMAPT
SCHEMBL7596060 0.71 CHRNA7 (0.56) ALDH1A1L3MBTL1
SCHEMBL7064294 0.71 CHRNA7 (0.56) ALDH1A1L3MBTL1
SCHEMBL22931244 0.71 ALDH1A1 (0.67) ALDH1A1L3MBTL1HPGDTDP1KDM4E
SCHEMBL7063276 0.70 ALDH1A1 (0.54) ALDH1A1L3MBTL1HPGDTDP1KDM4E
SCHEMBL3617156 0.69 ALDH1A1 (0.63) ALDH1A1L3MBTL1HPGDTDP1KDM4E

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 2657/4885L3MBTL1 3440/4885HPGD 92/4885

“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.