SCHEMBL942234

SCHEMBL942234

Cc1cc(OCCOc2ccc([N+](=O)[O-])cc2)cc(C)n1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
MAPT P10636 6/20 0.54
ALDH1A1 P00352 4/20 0.53
LMNA P02545 3/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
RAB9A P51151 3/20 0.50
S1PR4 O95977 2/20 0.50
NPC1 O15118 2/20 0.50
GAA P10253 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
PKM P14618 1/20 0.49
KCNH2 Q12809 2/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL942108 0.84 HTT (0.52) HTTMAPTALDH1A1LMNAMEN1
SCHEMBL6228523 0.83 MAPT (0.65) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL5285385 0.82 ACHE (0.67) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL116052 0.78 MAPT (0.60) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL13264901 0.78 ALDH1A1 (0.62) HTTMAPTALDH1A1LMNAMEN1
SCHEMBL30719663 0.78 MAPT (0.59) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL8456712 0.78 ALDH1A1 (0.62) HTTMAPTALDH1A1LMNAMEN1
SCHEMBL9570575 0.77 DRD2 (0.65) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL1646967 0.77 MAPT (0.56) HTTMAPTALDH1A1LMNAMEN1
SCHEMBL10341874 0.77 MAPT (0.67) HTTMAPTALDH1A1LMNAMEN1

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 13 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
US-8524705-B2 2-oxo-2-(2-phenyl-5,6,7,8-tetrahydro-indolizin-3-yl)-acetamide derivatives and related compounds as antifungal agents F2G LIMITED BRITISH BODY CORPORATE (GB) 2013-09-03 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-20110009390-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G LIMITED (GB) 2011-01-13 US disclosed
EP-2173749-B1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G LTD (GB) 2011-01-12 EP disclosed
EP-2173749-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G Limited (GB) 2010-04-14 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-2008145963-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G LIMITED (GB) 2008-12-04 WO 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 (3 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 HTT 1809/4885MAPT 1771/4885ALDH1A1 2813/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 HTT 3347/4885MAPT 2950/4885ALDH1A1 318/4885
US-20110009390-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS NAT1, FOXM1, CYP51A1 HTT 2052/4885MAPT 2462/4885ALDH1A1 124/4885

“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.