SCHEMBL943062

SCHEMBL943062

Cc1cc(C)nc(N2CCCN(c3ccc(NC(=O)C(=O)c4c(C5CCCC5)cc5n4CCCC5)cc3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
USP2 O75604 2/20 0.41
MAPT P10636 10/20 0.39
GAA P10253 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 6/20 0.35
PTK2B Q14289 1/20 0.35
ESR2 Q92731 1/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
MCL1 Q07820 2/20 0.35
LMNA P02545 2/20 0.35
GLA P06280 1/20 0.35
F10 P00742 2/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL942744 0.99 MAPT (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2USP2
SCHEMBL941854 0.98 ALDH1A1 (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2USP2
SCHEMBL942160 0.98 MAPT (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2USP2
SCHEMBL942149 0.93 ALDH1A1 (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2USP2
SCHEMBL942186 0.93 NPC1 (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2USP2
SCHEMBL945771 0.89 SLC2A1 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2USP2
SCHEMBL942897 0.89 F13A1 (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2USP2
SCHEMBL944101 0.87 ALDH1A1 (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2USP2
SCHEMBL942618 0.85 NPC1 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2USP2
SCHEMBL942901 0.84 NPC1 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2USP2

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 6 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

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 ALDH1A1 124/4885NPC1 678/4885RAB9A 2441/4885

“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.