SCHEMBL2229560

SCHEMBL2229560

O=C(Nc1cnccc1N1CCN(Cc2cccs2)CC1)C(=O)c1c(-c2ccccc2)cc2ccccn12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MAPT P10636 4/20 0.49
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
THRB P10828 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 3/20 0.42
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
DRD4 P21917 5/20 0.39
GPR6 P46095 1/20 0.39
DRD3 P35462 4/20 0.38
DRD2 P14416 2/20 0.38
SRPK1 Q96SB4 3/20 0.36

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
SCHEMBL1645660 0.84 ALDH1A1 (0.48) ALDH1A1MAPTKMT2ATDP1THRB
SCHEMBL1647396 0.83 MAPT (0.51) ALDH1A1MAPTKMT2ATDP1THRB
SCHEMBL13438885 0.82 MAPT (0.46) ALDH1A1MAPTKMT2ATDP1THRB
SCHEMBL4554235 0.78 ABCB1 (0.44) MAPTABCB1ABCC1ABCG2DRD4
SCHEMBL1644498 0.72 L3MBTL1 (0.62) ALDH1A1MAPTKMT2ATDP1THRB
SCHEMBL1645412 0.70 L3MBTL1 (0.58) ALDH1A1MAPTKMT2ATDP1THRB
SCHEMBL1645261 0.70 THRB (0.58) ALDH1A1MAPTKMT2ATDP1THRB
SCHEMBL1645469 0.70 MAPT (0.52) ALDH1A1MAPTKMT2ATDP1THRB
SCHEMBL13438882 0.69 MAPT (0.46) ALDH1A1MAPTKMT2ATDP1THRB
SCHEMBL13438880 0.68 ALDH1A1 (0.51) ALDH1A1MAPTKMT2ATDP1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604029-B2 2-[(2-substituted)-indolizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD BRITISH BODY CORPORATE (GB) 2013-12-10 US claimed
CN-101679410-B 2-[(2-substituted)-ind0lizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD 2013-11-27 CN claimed
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 US claimed
CN-102105170-A Antifungal combination therapy F2G LTD 2011-06-22 CN claimed
CN-101679410-A 2-[(2-substituted)-ind0lizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD 2010-03-24 CN claimed
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 US claimed
EP-2097413-B1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2013-12-25 EP disclosed
US-8604029-B2 2-[(2-substituted)-indolizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD BRITISH BODY CORPORATE (GB) 2013-12-10 US disclosed
CN-101679410-B 2-[(2-substituted)-ind0lizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD 2013-11-27 CN disclosed
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 US disclosed
CN-102105170-A Antifungal combination therapy F2G LTD 2011-06-22 CN disclosed
CN-101679410-A 2-[(2-substituted)-ind0lizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD 2010-03-24 CN disclosed
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 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 (2 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-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY IDO1, FOXM1, IPO5 ALDH1A1 2813/4885MAPT 1771/4885KMT2A 3693/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 ALDH1A1 318/4885MAPT 2950/4885KMT2A 1472/4885

“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.