SCHEMBL1645083

SCHEMBL1645083

COCCOc1cc(C)nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
SIRT6 Q8N6T7 1/20 0.45
ENPP2 Q13822 1/20 0.44
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
ADAM17 P78536 1/20 0.44
HTT P42858 1/20 0.43
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL1646266 0.97 MAPT (0.45) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL942358 0.87 MAPT (0.54) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1646959 0.83 MAPT (0.44) MAPTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL1645565 0.81 MAPT (0.42) MAPTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL942805 0.79 SIRT6 (0.56) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2230935 0.79 SIRT6 (0.48) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2233842 0.77 MEN1 (0.59) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL943495 0.76 LMNA (0.58) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL942234 0.75 HTT (0.59) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1126692 0.73 SIRT6 (0.57) MAPTMEN1KMT2AALDH1A1SMN1; 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 MAPT 1771/4885MEN1 221/4885KMT2A 3693/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 MAPT 2950/4885MEN1 281/4885KMT2A 1472/4885

“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.