SCHEMBL5157206

SCHEMBL5157206

C#CCOc1ccc(CNNC(=O)C(O)c2ccc(OC)cc2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 3/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
GFER P55789 1/20 0.38
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL5157740 0.91 MRGPRX4 (0.43) SMN1; SMN2ALDH1A1GAAMAPK1NPSR1
SCHEMBL5158936 0.91 SMN1; SMN2 (0.41) SMN1; SMN2MAPTALDH1A1NPC1HTT
SCHEMBL5157179 0.91 NPC1 (0.46) CTSDSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL14621020 0.88 CALM1 (0.46) CTSDSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL5154554 0.87 LMNA (0.42) CTSDMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL6820140 0.84 KMT2A (0.52) SMN1; SMN2MAPTALDH1A1GAALMNA
SCHEMBL5155165 0.82 TSHR (0.47) ALDH1A1GAATDP1NPSR1BCHE
SCHEMBL5154362 0.80 MRGPRX4 (0.43) SMN1; SMN2ALDH1A1GAAMAPK1NPSR1
SCHEMBL5157419 0.80 MRGPRX4 (0.41) ALDH1A1GAANPSR1LMNAHTT
SCHEMBL5157255 0.80 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1NPC1HTTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189873-B2 Propargylether derivatives, a process for their preparation and their use for controlling phytopathogenic microorganisms SYNGENTA CORP PROTECTION, INC. (US) 2007-03-13 US disclosed
US-7189873-B2 Propargylether derivatives, a process for their preparation and their use for controlling phytopathogenic microorganisms SYNGENTA CORP PROTECTION, INC. (US) 2007-03-13 US disclosed
US-7189873-B2 Propargylether derivatives, a process for their preparation and their use for controlling phytopathogenic microorganisms SYNGENTA CORP PROTECTION, INC. (US) 2007-03-13 US disclosed
EP-1549609-B1 PROPARGYLETHER DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC MICROORGANISMS SYNGENTA PARTICIPATIONS AG (CH) 2007-01-24 EP disclosed
US-20060167316-A1 Propargylether derivatives, a process for their preparation and their use for controlling phytopathogenic microorganisms SYNGENTA CROP PROTECTION, INC. 2006-07-27 US disclosed
EP-1549609-A2 PROPARGYLETHER DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC MICROORGANISMS Syngenta Participations AG (CH) 2005-07-06 EP disclosed
WO-2004033413-A2 PROPARGYLETHER DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC MICROORGANISMS SYNGENTA PARTICIPATIONS AG (CH) 2004-04-22 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-20060167316-A1 Propargylether derivatives, a process for their preparation and their use for controlling phytopathogenic microorganisms GRHPR, CBR3, CYP8B1 CTSD 3682/4885SMN1; SMN2 4783/4885MAPT 4073/4885

“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.