SCHEMBL944124

SCHEMBL944124

COCc1cc([N+](=O)[O-])ccc1N1CCN(c2cc(C)cc(C)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
MAPT P10636 3/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 3/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.40
CASP1 P29466 1/20 0.40
CASP4 P49662 1/20 0.40
CASP5 P51878 1/20 0.40
WDR5 P61964 1/20 0.39
NPC1 O15118 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL943005 0.87 PHGDH (0.50) PHGDHKMT2AMEN1MAPTGAA
SCHEMBL942081 0.85 PHGDH (0.42) PHGDHKMT2AMEN1MAPTGAA
SCHEMBL1991990 0.84 PHGDH (0.48) PHGDHKMT2AMEN1MAPTGAA
SCHEMBL1991994 0.84 PHGDH (0.48) PHGDHKMT2AMEN1MAPTGAA
SCHEMBL943580 0.83 MEN1 (0.60) PHGDHKMT2AMEN1MAPTGAA
SCHEMBL1127009 0.82 ALDH1A1 (0.44) PHGDHKMT2AMEN1GAARAB9A
SCHEMBL1019935 0.82 PHGDH (0.64) PHGDHKMT2AMEN1MAPTGAA
SCHEMBL942657 0.81 PHGDH (0.53) PHGDHKMT2AMEN1MAPTGAA
SCHEMBL1020766 0.81 MAPT (0.38) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL943503 0.81 KMT2A (0.44) PHGDHKMT2AMEN1MAPTRAB9A

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 5 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 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 PHGDH 2476/4885KMT2A 1776/4885MEN1 146/4885

“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.