SCHEMBL942744

SCHEMBL942744

Cc1cc(C)nc(N2CCCN(c3ccc(NC(=O)C(=O)c4c(C5CCCCC5)cc5n4CCCC5)cc3)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.40
ALDH1A1 P00352 6/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
GAA P10253 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
USP2 O75604 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.36
F10 P00742 1/20 0.36
KMT2A Q03164 6/20 0.35
MEN1 O00255 5/20 0.35
RAD52 P43351 2/20 0.35
GFER P55789 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 6/20 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
SCHEMBL943062 0.99 ALDH1A1 (0.41) MAPTALDH1A1NPC1RAB9AGAA
SCHEMBL942160 0.98 MAPT (0.39) MAPTALDH1A1NPC1RAB9AGAA
SCHEMBL941854 0.98 ALDH1A1 (0.40) MAPTALDH1A1NPC1RAB9AGAA
SCHEMBL942186 0.92 NPC1 (0.38) MAPTALDH1A1NPC1RAB9AGAA
SCHEMBL942149 0.92 ALDH1A1 (0.38) MAPTALDH1A1NPC1RAB9AGAA
SCHEMBL945771 0.88 SLC2A1 (0.39) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL942897 0.88 F13A1 (0.38) MAPTALDH1A1NPC1RAB9AGAA
SCHEMBL944101 0.86 ALDH1A1 (0.38) MAPTALDH1A1NPC1RAB9AGAA
SCHEMBL942618 0.85 NPC1 (0.42) MAPTALDH1A1NPC1RAB9AGAA
SCHEMBL942901 0.83 NPC1 (0.41) MAPTALDH1A1NPC1RAB9AGAA

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 MAPT 2462/4885ALDH1A1 124/4885NPC1 678/4885

“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.