SCHEMBL945696

SCHEMBL945696

COc1cc(C)nc(N2CCN(c3ccc(NC(=O)C(=O)c4c(-c5ccccc5)cc5n4CCCC5)cc3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
USP2 O75604 1/20 0.43
SLC1A2 P43004 1/20 0.41
SLC2A1 P11166 2/20 0.39
GALR2 O43603 1/20 0.39
GALR1 P47211 1/20 0.39
MAPT P10636 7/20 0.39
TP53 P04637 3/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPK1 P28482 2/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
QSOX1 O00391 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR1 P21554 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL941890 0.91 MALT1 (0.38) LMNAUSP2SLC1A2SLC2A1MAPT
SCHEMBL943156 0.91 ALDH1A1 (0.40) LMNAUSP2SLC2A1MAPTTP53
SCHEMBL1991892 0.90 MAPT (0.40) LMNAUSP2SLC2A1MAPTTP53
SCHEMBL942901 0.89 NPC1 (0.41) LMNAUSP2SLC2A1MAPTTP53
SCHEMBL944196 0.88 CNR1 (0.40) USP2MAPTALDH1A1RAB9ANPC1
SCHEMBL1988199 0.88 MAPT (0.39) LMNAUSP2SLC2A1MAPTALDH1A1
SCHEMBL945208 0.88 NPC1 (0.38) LMNAUSP2SLC1A2GALR2GALR1
SCHEMBL942180 0.87 CNR1 (0.41) USP2MAPTTP53ALDH1A1MAPK1
SCHEMBL1989759 0.87 ALDH1A1 (0.39) LMNAUSP2SLC2A1MAPTALDH1A1
SCHEMBL942282 0.86 USP2 (0.41) USP2MAPTTP53ALDH1A1MAPK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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-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
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

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-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 LMNA 2698/4885USP2 4039/4885SLC1A2 904/4885

“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.