SCHEMBL1647873

SCHEMBL1647873

COCc1cc(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)ccc1N1CCN(c2ccccn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.47
MAPT P10636 7/20 0.47
LMNA P02545 4/20 0.47
HTT P42858 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
THRB P10828 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MALT1 Q9UDY8 1/20 0.38

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
SCHEMBL1646560 0.92 ALDH1A1 (0.47) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL1647374 0.90 MAPT (0.48) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL1645771 0.87 MAPT (0.47) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL1645780 0.87 ALDH1A1 (0.55) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL1644898 0.86 MAPT (0.46) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL13438886 0.83 ALDH1A1 (0.52) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL1648701 0.81 ALDH1A1 (0.50) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL27836758 0.80 ALDH1A1 (0.49) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL1644931 0.80 MAPT (0.53) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL27836766 0.78 MAPT (0.49) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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.