SCHEMBL1648701

SCHEMBL1648701

O=C(Nc1ccc(N2CCCN(c3ccccn3)CC2)cc1)C(=O)c1c(-c2ccccc2)cc2ccccn12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.50
MAPT P10636 8/20 0.50
LMNA P02545 5/20 0.50
HTT P42858 4/20 0.50
THRB P10828 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
KLF5 Q13887 1/20 0.42
TSHR P16473 3/20 0.41
GAA P10253 1/20 0.41
BDKRB1 P46663 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
SCHEMBL13438886 0.97 ALDH1A1 (0.52) ALDH1A1MAPTLMNAHTTTHRB
SCHEMBL1647616 0.90 MAPT (0.51) ALDH1A1MAPTLMNAHTTTHRB
SCHEMBL1645570 0.88 MAPT (0.58) ALDH1A1MAPTLMNAHTTTHRB
SCHEMBL1646661 0.88 THRB (0.49) ALDH1A1MAPTLMNAHTTTHRB
SCHEMBL1646860 0.87 ALDH1A1 (0.52) ALDH1A1MAPTLMNAHTTTHRB
SCHEMBL1647296 0.87 ALDH1A1 (0.53) ALDH1A1MAPTLMNAHTTTHRB
SCHEMBL1647618 0.87 ALDH1A1 (0.46) ALDH1A1MAPTLMNAHTTTHRB
SCHEMBL1645536 0.87 MAPT (0.57) ALDH1A1MAPTLMNAHTTTHRB
SCHEMBL1645042 0.85 ALDH1A1 (0.49) ALDH1A1MAPTLMNAHTTTHRB
SCHEMBL1646239 0.85 ALDH1A1 (0.53) ALDH1A1MAPTLMNAHTTTHRB

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 7 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
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
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 (1 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-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.