SCHEMBL942428

SCHEMBL942428

c1ccc(-c2cc3n(c2)CCCC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 2/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
WDR5 P61964 2/20 0.42
ALDH1A1 P00352 5/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 3/20 0.41
HPGD P15428 4/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
BRD4 O60885 1/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.36
NAAA Q02083 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
SCHEMBL1988551 0.98 KDM4E (0.44) KDM4ENPC1RAB9AMAPTPKM
SCHEMBL1126871 0.94 WDR5 (0.47) KDM4ENPC1RAB9AMAPTPKM
SCHEMBL1126763 0.76 KDM4E (0.51) KDM4ENPC1RAB9AMAPTPKM
SCHEMBL14248895 0.74 APP (0.40)
SCHEMBL14248884 0.73 HRH3 (0.41) MAPTALDH1A1
SCHEMBL1126804 0.71 HDAC6 (0.40) KDM4ENPC1RAB9AMAPTPKM
SCHEMBL1126858 0.71 NPC1 (0.40) KDM4ENPC1RAB9AMAPTPKM
SCHEMBL14862135 0.69 CYP11B2 (0.36) KDM4ENPC1RAB9AMAPTPKM
SCHEMBL14704043 0.68 DRD3 (0.39) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL14249052 0.68 APP (0.41) MAPTWDR5ALDH1A1

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
CN-110759845-B Microwave synthesis method of 1,2,3, 5-tetrasubstituted azacyclopentadiene compound 湖南科技学院 2021-04-23 CN disclosed
CN-110759845-A Microwave synthesis method of 1,2,3, 5-tetrasubstituted azacyclopentadiene compound 湖南科技学院 2020-02-07 CN 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-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 KDM4E 2650/4885NPC1 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.