SCHEMBL1644945

SCHEMBL1644945

Cc1ccc(N2CCN(c3ccc(NC(=O)C(=O)c4c(-c5ccccc5)cc5ccccn45)cc3)CC2)nc1C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
MAPT P10636 6/20 0.57
LMNA P02545 5/20 0.57
HTT P42858 3/20 0.57
SMN1; SMN2 Q16637 5/20 0.53
THRB P10828 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
SLC27A1 Q6PCB7 1/20 0.38
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DGAT1 O75907 1/20 0.37
NPC1 O15118 2/20 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
SCHEMBL1646057 0.89 ALDH1A1 (0.54) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL1645576 0.87 MAPT (0.57) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL1646860 0.87 ALDH1A1 (0.52) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL1646297 0.86 ALDH1A1 (0.55) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL13438888 0.86 MAPT (0.53) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL1648138 0.86 MAPT (0.53) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL1646239 0.86 ALDH1A1 (0.53) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL1646528 0.85 ALDH1A1 (0.55) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL1645951 0.85 THRB (0.52) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL1647296 0.85 ALDH1A1 (0.53) ALDH1A1MAPTLMNAHTTSMN1; SMN2

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 ALDH1A1 2813/4885MAPT 1771/4885LMNA 3870/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 ALDH1A1 318/4885MAPT 2950/4885LMNA 1805/4885

“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.