SCHEMBL4895899

SCHEMBL4895899

Cc1cccc[n+]1CC(=O)c1cccc(C#N)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.54
THRB P10828 1/20 0.53
KMT2A Q03164 5/20 0.52
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
GLA P06280 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GRM5 P41594 1/20 0.41
GPR139 Q6DWJ6 1/20 0.40
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 1/20 0.39
VNN1 O95497 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DRD4 P21917 1/20 0.39
RECQL P46063 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
Bromide SCHEMBL3885368 0.99 THRB (0.55) GSK3BTHRBKMT2AKDM4EMAPT
Bromide SCHEMBL6218010 0.84 KMT2A (0.65) GSK3BTHRBKMT2AKDM4EMAPT
Bromide SCHEMBL3891677 0.81 THRB (0.61) THRBKMT2AKDM4EMAPTGLA
SCHEMBL13394254 0.80 KMT2A (0.70) THRBKMT2AKDM4EGLAPOLB
SCHEMBL4894700 0.80 THRB (0.56) THRBKMT2AKDM4EMAPTGLA
SCHEMBL4890283 0.80 THRB (0.56) THRBKMT2AKDM4EMAPTGLA
Bromide SCHEMBL3883473 0.78 THRB (0.58) THRBKMT2AKDM4EMAPTGLA
Bromide SCHEMBL3896616 0.78 THRB (0.58) THRBKMT2AKDM4EMAPTGLA
Bromide SCHEMBL1645919 0.78 KMT2A (0.73) THRBKMT2AKDM4EGLAPOLB
SCHEMBL29556203 0.74 GSK3B (0.70) GSK3BGRM5GPR139ALDH1A1VNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486962-B2 N-(2-Methoxy-phenyl)-2-oxo-2-(2-phenyl-indolizin-3-yl)-acetamide; antifungal agents; inhibiting Aspergillus F2G LTD. (GB) 2013-07-16 US disclosed
US-20080161302-A1 N-(2-Methoxy-phenyl)-2-oxo-2-(2-phenyl-indolizin-3-yl)-acetamide; antifungal agents; inhibiting Aspergillus F2G LTD. (GB) 2008-07-03 US 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-20080161302-A1 N-(2-Methoxy-phenyl)-2-oxo-2-(2-phenyl-indolizin-3-yl)-acetamide; antifungal agents; inhibiting Aspergillus NAT1, CYP1A2, CYP51A1 GSK3B 1998/4885THRB 2955/4885KMT2A 603/4885

“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.