SCHEMBL1644957

SCHEMBL1644957

Cc1cccc(N2CCN(c3ccc(NC(=O)C(=O)c4c(C5CCCCC5)cc5ccccn45)cc3)CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 1/20 0.38
TGM2 P21980 1/20 0.38
TGM1 P22735 1/20 0.38
TGM3 Q08188 1/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 5/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
BDKRB1 P46663 2/20 0.37
KCNH2 Q12809 1/20 0.36
RAB9A P51151 5/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPK1 P28482 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRNA7 P36544 2/20 0.35
CHRNA10 Q9GZZ6 2/20 0.35
CHRNA9 Q9UGM1 2/20 0.35

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
SCHEMBL1644918 0.99 F13A1 (0.39) F13A1TGM2TGM1TGM3ALDH1A1
SCHEMBL2232054 0.93 MAPT (0.42) F13A1TGM2TGM1TGM3ALDH1A1
SCHEMBL1645168 0.91 MAPT (0.38) ALDH1A1MAPTLMNAHTTBDKRB1
SCHEMBL1646224 0.90 MAPT (0.38) ALDH1A1MAPTLMNAHTTBDKRB1
SCHEMBL1648063 0.90 MAPT (0.38) ALDH1A1MAPTLMNAHTTBDKRB1
SCHEMBL2233150 0.90 BDKRB1 (0.39) ALDH1A1MAPTLMNAHTTBDKRB1
SCHEMBL1645467 0.89 MAPT (0.37) ALDH1A1MAPTLMNAHTTRAB9A
SCHEMBL1646843 0.89 BDKRB1 (0.38) ALDH1A1MAPTLMNAHTTBDKRB1
SCHEMBL1645466 0.87 BDKRB1 (0.46) ALDH1A1MAPTLMNAHTTBDKRB1
SCHEMBL2232068 0.87 MAPT (0.39) ALDH1A1MAPTLMNAHTTRAB9A

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 11 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
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
EP-2303329-A1 ANTIFUNGAL COMBINATION THERAPY F2G Limited (GB) 2011-04-06 EP 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
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 WO disclosed
EP-2097413-A1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G Limited (GB) 2009-09-09 EP disclosed
WO-2008062182-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2008-05-29 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 F13A1 1776/4885TGM2 4492/4885TGM1 3724/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 F13A1 2835/4885TGM2 2785/4885TGM1 2895/4885

“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.