SCHEMBL1644573

SCHEMBL1644573

CC(C)c1nccn1CCOC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
NOS1 P29475 1/20 0.41
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
CCR3 P51677 1/20 0.38
ALDH1A1 P00352 4/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 5/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
RECQL P46063 1/20 0.35
CYP26A1 O43174 1/20 0.35

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
SCHEMBL1646593 0.85 SMN1; SMN2 (0.46) SMN1; SMN2CYP2C19CYP2D6TSHRHIF1A
SCHEMBL4553123 0.78 SMN1; SMN2 (0.43) SMN1; SMN2CYP2C19CYP2D6TSHRHIF1A
SCHEMBL1646872 0.77 SMN1; SMN2 (0.42) SMN1; SMN2NOS1CYP2C19CYP2D6TSHR
SCHEMBL2231525 0.72 ALDH1A1 (0.49) SMN1; SMN2CYP2C19ALDH1A1POLBMAPT
SCHEMBL395369 0.71 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1POLBMAPTLMNA
SCHEMBL2230908 0.70 SMN1; SMN2 (0.57) SMN1; SMN2CYP2C19CYP2D6TSHRHIF1A
SCHEMBL1647583 0.69 ALDH1A1 (0.44) SMN1; SMN2NOS1CYP2C19CYP2D6TSHR
SCHEMBL27758080 0.69 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL3034639 0.68 ALDH1A1 (0.55) SMN1; SMN2CYP2C19CYP2D6ALDH1A1POLB
SCHEMBL1646833 0.68 ALDH1A1 (0.44) CYP2C19ALDH1A1POLBMAPTMEN1

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 SMN1; SMN2 3079/4885NOS1 335/4885CYP2C19 216/4885

“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.