SCHEMBL1644898

SCHEMBL1644898

COCc1cc(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)ccc1N1CCCN(c2cc(C)cc(C)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
LMNA P02545 6/20 0.46
ALDH1A1 P00352 5/20 0.46
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
USP2 O75604 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
SLC2A1 P11166 2/20 0.33
GBA1 P04062 2/20 0.33
MEN1 O00255 1/20 0.33
NPY2R P49146 1/20 0.32
NPC1 O15118 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32

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
SCHEMBL1645771 0.98 MAPT (0.47) MAPTLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL1647374 0.90 MAPT (0.48) MAPTLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL1647462 0.89 MAPT (0.51) MAPTLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL1646974 0.88 LMNA (0.39) MAPTLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL1646560 0.88 ALDH1A1 (0.47) MAPTLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL28788626 0.87 MAPT (0.49) MAPTLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL1645685 0.87 MAPT (0.53) MAPTLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL2230728 0.87 LMNA (0.34) MAPTLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL1646752 0.86 LMNA (0.35) MAPTLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL1645781 0.86 LMNA (0.34) MAPTLMNAALDH1A1HTTSMN1; 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 5 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

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

“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.