SCHEMBL3889591

SCHEMBL3889591

Cc1noc(C)c1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.57
BRD2 P25440 2/20 0.56
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.50
ERN1 O75460 2/20 0.49
MLYCD O95822 1/20 0.48
EDNRB P24530 2/20 0.47
EDNRA P25101 2/20 0.47
ACHE P22303 1/20 0.46
HSD17B10 Q99714 1/20 0.46
BRD3 Q15059 1/20 0.46
CREBBP Q92793 1/20 0.46
NR3C1 P04150 1/20 0.45
PGR P06401 1/20 0.45
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL28635457 0.80 PTGS2 (0.69) BRD4BRD2
SCHEMBL1664331 0.80 ERN1 (0.59) BRD4BRD2ERN1BRD3CREBBP
SCHEMBL16110854 0.79 TDP1 (0.57) BRD4BRD2ALDH1A1POLBERN1
SCHEMBL11980663 0.78 ALDH1A1 (0.49) BRD4BRD2ALDH1A1POLBERN1
SCHEMBL17796339 0.78 ERN1 (0.48) BRD4BRD2ERN1MLYCDBRD3
SCHEMBL24244392 0.77 BRD4 (0.43) BRD4BRD2ALDH1A1POLBERN1
SCHEMBL31440650 0.77 ERN1 (0.50) BRD4BRD2ALDH1A1ERN1CREBBP
SCHEMBL8300240 0.76 BRD4 (0.70) BRD4BRD2ERN1MLYCDBRD3
SCHEMBL18249984 0.76 HSD17B10 (0.46) ALDH1A1POLBERN1HSD17B10NR3C1
SCHEMBL18258249 0.76 ALDH1A1 (0.44) BRD4ALDH1A1POLBERN1EDNRB

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-8486962-B2 N-(2-Methoxy-phenyl)-2-oxo-2-(2-phenyl-indolizin-3-yl)-acetamide; antifungal agents; inhibiting Aspergillus F2G LTD. (GB) 2013-07-16 US disclosed
EP-1888063-B1 ANTIFUNGAL AGENTS F2G LTD (GB) 2009-01-14 EP disclosed
US-20080161302-A1 N-(2-Methoxy-phenyl)-2-oxo-2-(2-phenyl-indolizin-3-yl)-acetamide; antifungal agents; inhibiting Aspergillus F2G LTD. (GB) 2008-07-03 US disclosed
EP-1888063-A1 ANTIFUNGAL AGENTS F2G Ltd. (GB) 2008-02-20 EP disclosed
WO-2006123145-A1 ANTIFUNGAL AGENTS F2G LTD (GB) 2006-11-23 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-20080161302-A1 N-(2-Methoxy-phenyl)-2-oxo-2-(2-phenyl-indolizin-3-yl)-acetamide; antifungal agents; inhibiting Aspergillus NAT1, CYP1A2, CYP51A1 BRD4 2165/4885BRD2 1864/4885ALDH1A1 510/4885

“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.