SCHEMBL8164603

SCHEMBL8164603

O=C(/C=C/c1ccc(-c2cccs2)s1)N1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.68
▸ SMN1; SMN2 Q16637 3/20 0.68
▸ MAPT P10636 4/20 0.54
▸ MITF O75030 2/20 0.54
▸ HTT P42858 2/20 0.54
▸ KDM4E B2RXH2 4/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ DPP4 P27487 1/20 0.49
▸ RAB9A P51151 4/20 0.48
▸ LMNA P02545 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ NPC1 O15118 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ HPGD P15428 2/20 0.44
▸ BCHE P06276 1/20 0.44
▸ TP53 P04637 1/20 0.44

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
SCHEMBL28386845 0.82 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MAPTMITFHTT
SCHEMBL8573578 0.79 DPP4 (0.58) ALDH1A1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL3179272 0.79 HCAR2 (0.62) ALDH1A1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL8573580 0.79 DPP4 (0.58) ALDH1A1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL8132703 0.77 DPP4 (0.61) ALDH1A1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL8574063 0.77 DPP4 (0.61) ALDH1A1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL8176875 0.77 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTMITFHTT
SCHEMBL3170023 0.77 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTMITFHTT
SCHEMBL3170211 0.76 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPTMITFHTT
SCHEMBL3164318 0.76 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTMITFHTT

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 2657/4885SMN1; SMN2 4638/4885MAPT 4745/4885

“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.

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