SCHEMBL3890455

SCHEMBL3890455

O=C(C(=O)N1CCCCC1)c1c(-c2cccnc2)cc2ccccn12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
THRB P10828 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP2C9 P11712 2/20 0.44
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 3/20 0.41
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.37
PDK2 Q15119 1/20 0.37

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
SCHEMBL1645272 0.88 SMN1; SMN2 (0.60) SMN1; SMN2THRBL3MBTL1MAPTHTT
SCHEMBL1646096 0.88 SMN1; SMN2 (0.60) SMN1; SMN2THRBL3MBTL1MAPTHTT
SCHEMBL3886464 0.81 SMN1; SMN2 (0.56) SMN1; SMN2THRBL3MBTL1CYP2C9MAPT
SCHEMBL3888317 0.80 STAT3 (0.49) SMN1; SMN2MAPTHTTALDH1A1
SCHEMBL3885217 0.80 THRB (0.50) SMN1; SMN2THRBL3MBTL1MAPTHTT
SCHEMBL3883314 0.79 SMN1; SMN2 (0.79) SMN1; SMN2THRBL3MBTL1MAPTHTT
SCHEMBL3888278 0.78 THRB (0.59) SMN1; SMN2THRBL3MBTL1MAPTHTT
SCHEMBL3891512 0.78 THRB (0.56) SMN1; SMN2THRBL3MBTL1MAPTHTT
SCHEMBL1646027 0.77 SMN1; SMN2 (0.57) SMN1; SMN2THRBL3MBTL1MAPTHTT
SCHEMBL1645663 0.75 SMN1; SMN2 (0.67) SMN1; SMN2THRBL3MBTL1MAPTHTT

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 3 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
EP-1888063-B1 ANTIFUNGAL AGENTS F2G LTD (GB) 2009-01-14 EP 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 SMN1; SMN2 3501/4885THRB 2955/4885L3MBTL1 3386/4885

“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.