SCHEMBL1645673

SCHEMBL1645673

Cc1cc(C)nc(N2CCN(c3ccc(NC(=O)C(=O)c4c(C5CCCCC5)cc5ccccn45)cc3C)CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 4/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
RAB9A P51151 4/20 0.35
NPC1 O15118 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GBA1 P04062 1/20 0.34
GLA P06280 1/20 0.34
PDE7A Q13946 1/20 0.34
TSHR P16473 1/20 0.33
NPY2R P49146 1/20 0.33
APOBEC3A P31941 1/20 0.33
RAD52 P43351 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33

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
SCHEMBL2232028 0.99 MAPT (0.38) LMNAALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL1647298 0.92 ALDH1A1 (0.43) LMNAALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL27836750 0.91 PHGDH (0.37) LMNAALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL27836896 0.90 PHGDH (0.37) LMNAALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL1645168 0.90 MAPT (0.38) LMNAALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL1645781 0.89 LMNA (0.34) LMNAALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL1646224 0.89 MAPT (0.38) LMNAALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL1648063 0.88 MAPT (0.38) LMNAALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL2230728 0.88 LMNA (0.34) LMNAALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL1645467 0.88 MAPT (0.37) LMNAALDH1A1MAPTHTTSMN1; 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 LMNA 3870/4885ALDH1A1 2813/4885MAPT 1771/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 LMNA 1805/4885ALDH1A1 318/4885MAPT 2950/4885

“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.