SCHEMBL1644937

SCHEMBL1644937

CC(C)c1cc2ccccn2c1C(=O)C(=O)Nc1ccc(N2CCN(c3ccccn3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.48
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GFER P55789 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
DRD2 P14416 3/20 0.41
DRD3 P35462 3/20 0.41
DRD4 P21917 2/20 0.41
GAA P10253 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40

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
SCHEMBL1646423 0.91 KDM4E (0.40) PANK3ALDH1A1KDM4EMAPTTSHR
SCHEMBL1646885 0.88 DRD2 (0.43) PANK3ALDH1A1KDM4EMAPTTSHR
SCHEMBL2230688 0.88 F13A1 (0.40) PANK3ALDH1A1KDM4EMAPTTSHR
SCHEMBL1646559 0.85 KMT2A (0.38) ALDH1A1KDM4EMAPTTSHRLMNA
SCHEMBL1646393 0.85 MAPT (0.39) ALDH1A1KDM4EMAPTTSHRLMNA
SCHEMBL13438886 0.85 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTTSHRLMNA
SCHEMBL1646577 0.83 BDKRB1 (0.45) PANK3ALDH1A1KDM4EMAPTTSHR
SCHEMBL2231087 0.83 MAPT (0.38) ALDH1A1KDM4EMAPTTSHRLMNA
SCHEMBL1648701 0.82 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTTSHRLMNA
SCHEMBL1645466 0.82 BDKRB1 (0.46) PANK3ALDH1A1KDM4EMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 US disclosed
EP-2303329-A1 ANTIFUNGAL COMBINATION THERAPY F2G Limited (GB) 2011-04-06 EP disclosed
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 US disclosed
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 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 (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 PANK3 1694/4885ALDH1A1 2813/4885KDM4E 2593/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 PANK3 1933/4885ALDH1A1 318/4885KDM4E 1543/4885

“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.