SCHEMBL4612652

SCHEMBL4612652

CC#CC(C)(C)NC(=O)C(COC)Oc1cc(Cl)cc(OC)c1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 8/20 0.32
KMT2A Q03164 2/20 0.32
ANO1 Q5XXA6 1/20 0.32
CACNA1H O95180 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
DDR1 Q08345 1/20 0.31
CASR P41180 1/20 0.30
LMNA P02545 1/20 0.30
CNR1 P21554 1/20 0.30

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
SCHEMBL4612427 0.94 GRN (0.33) HTRA1ANO1
SCHEMBL4613305 0.88 HTRA1 (0.34) HTRA1KMT2AKDM4EGAA
SCHEMBL4613689 0.84 SMN1; SMN2 (0.33) KDM4E
SCHEMBL5160918 0.84 HTRA1 (0.35) HTRA1
SCHEMBL4614473 0.84 HTRA1 (0.33) HTRA1
SCHEMBL6252988 0.83 HTRA1 (0.31) HTRA1
SCHEMBL4612394 0.82 GRN (0.33) HTRA1KMT2AANO1
SCHEMBL4616219 0.82 PKM (0.35) HTRA1KMT2AANO1GAALMNA
SCHEMBL11439707 0.78 TSHR (0.36) KMT2AANO1CACNA1HKDM4EGAA
SCHEMBL4614038 0.77 TSHR (0.35) HTRA1KMT2AKDM4EGAALMNA

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
EP-1567480-B1 N-ALKYNYL-2-(SUBSTITUTED PHENOXY) ALKYLAMIDES AND THEIR USE AS FUNGICIDES SYNGENTA LTD (GB) 2008-03-12 EP disclosed
US-7271130-B2 N-alkynyl-2-(substituted phenoxy) alkylamides and their use as fungicides SYNGENTA LIMITED (GB) 2007-09-18 US disclosed
US-20060194763-A1 N-alkynyl-2-(substituted phenoxy) alkylamides and their use as fungicides SYNGENTA LIMITED (GB) 2006-08-31 US disclosed
EP-1567480-A1 N-ALKYNYL-2-(SUBSTITUTED PHENOXY) ALKYLAMIDES AND THEIR USE AS FUNGICIDES Syngenta Limited (GB) 2005-08-31 EP disclosed
WO-2004048316-A1 N-ALKYNYL-2- (SUBSTITUTED PHENOXY) ALKYLAMIDES AND THEIR USE AS FUNGICIDES SYNGENTA LIMITED (GB) 2004-06-10 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-20060194763-A1 N-alkynyl-2-(substituted phenoxy) alkylamides and their use as fungicides CYP4X1, PRXL2A, CYP1A2 HTRA1 2403/4885KMT2A 327/4885ANO1 872/4885

“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.